NP-MRD: Showing NP-Card for Virescenoside M (NP0003339)

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Record Information

Version

1.0

Created at

2020-12-09 00:37:50 UTC

Updated at

2021-07-15 16:46:10 UTC

NP-MRD ID

NP0003339

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Virescenoside M

Provided By

NPAtlas

Description

Virescenoside M is found in Acremonium, Acremonium striatisporum KMM 4401 and Sagenomella striatispora. It was first documented in 2000 (PMID: 10869218). Based on a literature review very few articles have been published on (1S,2R,3R,4aS,7S,10aR)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-1-({[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthren-9-one (PMID: 34380192) (PMID: 34380191) (PMID: 34380190) (PMID: 34380189).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242117473D          

 75 78  0  0  0  0            999 V2000
    7.2414    2.4563    1.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6089    1.3444    1.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3006    0.9555    1.0529 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5477    2.2574    0.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4912    0.1792   -0.2138 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3556   -0.7139   -0.5717 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1355   -0.5298    0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071   -0.1263    1.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5293    0.1775    2.0954 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0124    0.0202    2.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.1973    3.5540 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -0.0548    1.6042 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8078   -1.1723    0.6078 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8308   -0.8413   -0.4154 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5089    0.2694   -1.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.1252   -1.2385 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7542   -2.3152   -2.0058 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9279   -3.5337   -2.7197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5035   -2.3504   -1.2182 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -0.5007   -1.6376    0.0851 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0534   -2.6347    1.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4993   -0.5026    0.1502 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7493   -0.8834   -0.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6299    0.1648   -0.2732 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6822   -0.1571    0.6042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4433    0.9774    0.7647 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3691    0.9152    1.9539 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0751    2.1222    1.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2193    1.1905   -0.5296 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2332    2.1060   -0.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1716    1.6284   -1.5602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6108    2.8087   -1.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1445    0.5512   -1.6408 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6846   -0.5229   -2.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7949    3.0837    0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1799    2.7575    1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0383    0.7026    2.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7134    2.5073   -0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4657    2.1320    0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9498    3.0695    1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7738    0.8939   -1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053   -0.4614   -0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6473   -1.8047   -0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1053   -0.5056   -1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4090    0.8318    2.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1147   -0.7432    2.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229    0.9162    1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1254   -0.1980    2.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2646   -2.0387    1.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5788    0.2156   -1.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175    0.3114   -2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5942    1.2336   -0.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2027   -2.9885   -0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8463   -2.0710   -1.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7231   -1.5582   -2.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751   -4.3018   -2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -3.4300   -1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6215   -2.4733   -2.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0693   -2.0748    2.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3398   -3.5041    1.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0680   -2.9372    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.1953    1.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2058    0.4117   -0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1268    1.0349    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7543    1.8392    0.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0712    0.0752    1.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7341    0.8851    2.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0483    1.9922    1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5942    0.1938   -0.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1061    2.8021   -1.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6165    1.8088   -2.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6192    2.8321   -1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817    0.9255   -2.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4508   -0.5347   -3.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
  9  3  1  0  0  0  0
 21 13  1  0  0  0  0
 34 25  1  0  0  0  0
 14  7  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2 38  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 12 48  1  0  0  0  0
 12 49  1  0  0  0  0
 13 50  1  1  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 56  1  6  0  0  0
 18 57  1  0  0  0  0
 19 58  1  1  0  0  0
 20 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 25 65  1  1  0  0  0
 27 66  1  1  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 70  1  6  0  0  0
 31 71  1  0  0  0  0
 32 72  1  6  0  0  0
 33 73  1  0  0  0  0
 34 74  1  6  0  0  0
 35 75  1  0  0  0  0
M  END

     RDKit          3D

 75 78  0  0  0  0  0  0  0  0999 V2000
    7.2414    2.4563    1.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6089    1.3444    1.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3006    0.9555    1.0529 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5477    2.2574    0.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4912    0.1792   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3556   -0.7139   -0.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1355   -0.5298    0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071   -0.1263    1.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5293    0.1775    2.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0124    0.0202    2.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.1973    3.5540 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -0.0548    1.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8078   -1.1723    0.6078 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8308   -0.8413   -0.4154 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5089    0.2694   -1.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.1252   -1.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.3152   -2.0058 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9279   -3.5337   -2.7197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5035   -2.3504   -1.2182 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5146   -1.8560   -2.0858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007   -1.6376    0.0851 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0534   -2.6347    1.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4993   -0.5026    0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7493   -0.8834   -0.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6299    0.1648   -0.2732 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6822   -0.1571    0.6042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4433    0.9774    0.7647 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3691    0.9152    1.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0751    2.1222    1.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2193    1.1905   -0.5296 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2332    2.1060   -0.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1716    1.6284   -1.5602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6108    2.8087   -1.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1445    0.5512   -1.6408 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6846   -0.5229   -2.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7949    3.0837    0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1799    2.7575    1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0383    0.7026    2.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7134    2.5073   -0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4657    2.1320    0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9498    3.0695    1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7738    0.8939   -1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053   -0.4614   -0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6473   -1.8047   -0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1053   -0.5056   -1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4090    0.8318    2.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1147   -0.7432    2.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229    0.9162    1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5751   -4.3018   -2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -3.4300   -1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6215   -2.4733   -2.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0693   -2.0748    2.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0680   -2.9372    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2058    0.4117   -0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1268    1.0349    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7543    1.8392    0.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0712    0.0752    1.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7341    0.8851    2.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0483    1.9922    1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5942    0.1938   -0.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1061    2.8021   -1.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6165    1.8088   -2.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6192    2.8321   -1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817    0.9255   -2.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4508   -0.5347   -3.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  3  2  1  1
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
  9  3  1  0
 21 13  1  0
 34 25  1  0
 14  7  1  0
  1 36  1  0
  1 37  1  0
  2 38  1  0
  4 39  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  5 43  1  0
  6 44  1  0
  6 45  1  0
  9 46  1  0
  9 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  1
 15 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  6
 18 57  1  0
 19 58  1  1
 20 59  1  0
 22 60  1  0
 22 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
 25 65  1  1
 27 66  1  1
 28 67  1  0
 28 68  1  0
 29 69  1  0
 30 70  1  6
 31 71  1  0
 32 72  1  6
 33 73  1  0
 34 74  1  6
 35 75  1  0
M  END


  Mrv1652306242117473D          

 75 78  0  0  0  0            999 V2000
    7.2414    2.4563    1.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6089    1.3444    1.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3006    0.9555    1.0529 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5477    2.2574    0.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4912    0.1792   -0.2138 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3556   -0.7139   -0.5717 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1355   -0.5298    0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071   -0.1263    1.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5293    0.1775    2.0954 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0124    0.0202    2.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.1973    3.5540 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -0.0548    1.6042 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8078   -1.1723    0.6078 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8308   -0.8413   -0.4154 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5089    0.2694   -1.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.1252   -1.2385 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7542   -2.3152   -2.0058 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9279   -3.5337   -2.7197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5035   -2.3504   -1.2182 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5146   -1.8560   -2.0858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007   -1.6376    0.0851 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0534   -2.6347    1.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4993   -0.5026    0.1502 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7493   -0.8834   -0.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6299    0.1648   -0.2732 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6822   -0.1571    0.6042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4433    0.9774    0.7647 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3691    0.9152    1.9539 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0751    2.1222    1.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2193    1.1905   -0.5296 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2332    2.1060   -0.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1716    1.6284   -1.5602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6108    2.8087   -1.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1445    0.5512   -1.6408 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6846   -0.5229   -2.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7949    3.0837    0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1799    2.7575    1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0383    0.7026    2.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7134    2.5073   -0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4657    2.1320    0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9498    3.0695    1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7738    0.8939   -1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053   -0.4614   -0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6473   -1.8047   -0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1053   -0.5056   -1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4090    0.8318    2.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1147   -0.7432    2.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229    0.9162    1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1254   -0.1980    2.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2646   -2.0387    1.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5788    0.2156   -1.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175    0.3114   -2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5942    1.2336   -0.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2027   -2.9885   -0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8463   -2.0710   -1.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7231   -1.5582   -2.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751   -4.3018   -2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -3.4300   -1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6215   -2.4733   -2.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0693   -2.0748    2.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3398   -3.5041    1.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0680   -2.9372    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.1953    1.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2058    0.4117   -0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1268    1.0349    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7543    1.8392    0.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0712    0.0752    1.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7341    0.8851    2.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0483    1.9922    1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5942    0.1938   -0.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1061    2.8021   -1.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6165    1.8088   -2.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6192    2.8321   -1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817    0.9255   -2.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4508   -0.5347   -3.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
  9  3  1  0  0  0  0
 21 13  1  0  0  0  0
 34 25  1  0  0  0  0
 14  7  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2 38  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 12 48  1  0  0  0  0
 12 49  1  0  0  0  0
 13 50  1  1  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 56  1  6  0  0  0
 18 57  1  0  0  0  0
 19 58  1  1  0  0  0
 20 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 25 65  1  1  0  0  0
 27 66  1  1  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 70  1  6  0  0  0
 31 71  1  0  0  0  0
 32 72  1  6  0  0  0
 33 73  1  0  0  0  0
 34 74  1  6  0  0  0
 35 75  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0003339

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])[C@@]3(C4=C(C(=O)C([H])([H])[C@@]23[H])C([H])([H])[C@](C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])C4([H])[H])C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H]

> <INCHI_IDENTIFIER>
InChI=1S/C26H40O9/c1-5-24(2)7-6-14-13(9-24)15(28)8-18-25(14,3)10-16(29)22(33)26(18,4)12-34-23-21(32)20(31)19(30)17(11-27)35-23/h5,16-23,27,29-33H,1,6-12H2,2-4H3/t16-,17-,18-,19-,20-,21+,22+,23-,24+,25-,26-/m1/s1

> <INCHI_KEY>
MAUNRHHHTKXIPX-LVEBLLTKSA-N

> <FORMULA>
C26H40O9

> <MOLECULAR_WEIGHT>
496.597

> <EXACT_MASS>
496.267232868

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
52.85615627255667

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,3R,4aS,7S,10aR)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-1-({[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthren-9-one

> <ALOGPS_LOGP>
-0.55

> <JCHEM_LOGP>
-0.19277068233333375

> <ALOGPS_LOGS>
-2.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.06281236319623

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.19211770826307

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083413100584

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
126.10919999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.40e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,3R,4aS,7S,10aR)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-1-({[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3,4,5,6,8,10,10a-octahydrophenanthren-9-one

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 75 78  0  0  0  0  0  0  0  0999 V2000
    7.2414    2.4563    1.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6089    1.3444    1.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3006    0.9555    1.0529 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5477    2.2574    0.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4912    0.1792   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3556   -0.7139   -0.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1355   -0.5298    0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071   -0.1263    1.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5293    0.1775    2.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0124    0.0202    2.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.1973    3.5540 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -0.0548    1.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8078   -1.1723    0.6078 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8308   -0.8413   -0.4154 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5089    0.2694   -1.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.1252   -1.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.3152   -2.0058 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9279   -3.5337   -2.7197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5035   -2.3504   -1.2182 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5146   -1.8560   -2.0858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007   -1.6376    0.0851 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0534   -2.6347    1.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4993   -0.5026    0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7493   -0.8834   -0.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6299    0.1648   -0.2732 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6822   -0.1571    0.6042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4433    0.9774    0.7647 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3691    0.9152    1.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0751    2.1222    1.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2193    1.1905   -0.5296 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2332    2.1060   -0.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1716    1.6284   -1.5602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6108    2.8087   -1.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1445    0.5512   -1.6408 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6846   -0.5229   -2.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7949    3.0837    0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1799    2.7575    1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0383    0.7026    2.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7134    2.5073   -0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4657    2.1320    0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9498    3.0695    1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7738    0.8939   -1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053   -0.4614   -0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6473   -1.8047   -0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1053   -0.5056   -1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4090    0.8318    2.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1147   -0.7432    2.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229    0.9162    1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1254   -0.1980    2.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2646   -2.0387    1.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5788    0.2156   -1.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175    0.3114   -2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5942    1.2336   -0.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2027   -2.9885   -0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8463   -2.0710   -1.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7231   -1.5582   -2.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751   -4.3018   -2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -3.4300   -1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6215   -2.4733   -2.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0693   -2.0748    2.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3398   -3.5041    1.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0680   -2.9372    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.1953    1.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2058    0.4117   -0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1268    1.0349    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7543    1.8392    0.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0712    0.0752    1.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7341    0.8851    2.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0483    1.9922    1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5942    0.1938   -0.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1061    2.8021   -1.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6165    1.8088   -2.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6192    2.8321   -1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817    0.9255   -2.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4508   -0.5347   -3.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  3  2  1  1
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
  9  3  1  0
 21 13  1  0
 34 25  1  0
 14  7  1  0
  1 36  1  0
  1 37  1  0
  2 38  1  0
  4 39  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  5 43  1  0
  6 44  1  0
  6 45  1  0
  9 46  1  0
  9 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  1
 15 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  6
 18 57  1  0
 19 58  1  1
 20 59  1  0
 22 60  1  0
 22 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
 25 65  1  1
 27 66  1  1
 28 67  1  0
 28 68  1  0
 29 69  1  0
 30 70  1  6
 31 71  1  0
 32 72  1  6
 33 73  1  0
 34 74  1  6
 35 75  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  C   UNK     0       7.241   2.456   1.255  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.609   1.344   1.645  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.301   0.956   1.053  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.548   2.257   0.762  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.491   0.179  -0.214  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.356  -0.714  -0.572  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.135  -0.530   0.270  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.207  -0.126   1.519  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.529   0.178   2.095  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.012   0.020   2.326  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.134   0.197   3.554  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.713  -0.055   1.604  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.808  -1.172   0.608  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.831  -0.841  -0.415  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.509   0.269  -1.344  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.004  -2.125  -1.238  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.754  -2.315  -2.006  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.928  -3.534  -2.720  0.00  0.00           O+0
HETATM   19  C   UNK     0      -0.503  -2.350  -1.218  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.515  -1.856  -2.086  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.501  -1.638   0.085  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.053  -2.635   1.135  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.499  -0.503   0.150  0.00  0.00           C+0
HETATM   24  O   UNK     0      -2.749  -0.883  -0.344  0.00  0.00           O+0
HETATM   25  C   UNK     0      -3.630   0.165  -0.273  0.00  0.00           C+0
HETATM   26  O   UNK     0      -4.682  -0.157   0.604  0.00  0.00           O+0
HETATM   27  C   UNK     0      -5.443   0.977   0.765  0.00  0.00           C+0
HETATM   28  C   UNK     0      -6.369   0.915   1.954  0.00  0.00           C+0
HETATM   29  O   UNK     0      -7.075   2.122   1.996  0.00  0.00           O+0
HETATM   30  C   UNK     0      -6.219   1.190  -0.530  0.00  0.00           C+0
HETATM   31  O   UNK     0      -7.233   2.106  -0.398  0.00  0.00           O+0
HETATM   32  C   UNK     0      -5.172   1.628  -1.560  0.00  0.00           C+0
HETATM   33  O   UNK     0      -4.611   2.809  -1.028  0.00  0.00           O+0
HETATM   34  C   UNK     0      -4.144   0.551  -1.641  0.00  0.00           C+0
HETATM   35  O   UNK     0      -4.685  -0.523  -2.328  0.00  0.00           O+0
HETATM   36  H   UNK     0       6.795   3.084   0.497  0.00  0.00           H+0
HETATM   37  H   UNK     0       8.180   2.757   1.664  0.00  0.00           H+0
HETATM   38  H   UNK     0       7.038   0.703   2.402  0.00  0.00           H+0
HETATM   39  H   UNK     0       4.713   2.507  -0.301  0.00  0.00           H+0
HETATM   40  H   UNK     0       3.466   2.132   0.962  0.00  0.00           H+0
HETATM   41  H   UNK     0       4.950   3.070   1.370  0.00  0.00           H+0
HETATM   42  H   UNK     0       5.774   0.894  -1.018  0.00  0.00           H+0
HETATM   43  H   UNK     0       6.405  -0.461  -0.066  0.00  0.00           H+0
HETATM   44  H   UNK     0       4.647  -1.805  -0.547  0.00  0.00           H+0
HETATM   45  H   UNK     0       4.105  -0.506  -1.631  0.00  0.00           H+0
HETATM   46  H   UNK     0       4.409   0.832   2.984  0.00  0.00           H+0
HETATM   47  H   UNK     0       5.115  -0.743   2.323  0.00  0.00           H+0
HETATM   48  H   UNK     0       0.623   0.916   1.056  0.00  0.00           H+0
HETATM   49  H   UNK     0      -0.125  -0.198   2.327  0.00  0.00           H+0
HETATM   50  H   UNK     0       1.265  -2.039   1.184  0.00  0.00           H+0
HETATM   51  H   UNK     0       0.579   0.216  -1.897  0.00  0.00           H+0
HETATM   52  H   UNK     0       2.317   0.311  -2.119  0.00  0.00           H+0
HETATM   53  H   UNK     0       1.594   1.234  -0.790  0.00  0.00           H+0
HETATM   54  H   UNK     0       2.203  -2.989  -0.557  0.00  0.00           H+0
HETATM   55  H   UNK     0       2.846  -2.071  -1.924  0.00  0.00           H+0
HETATM   56  H   UNK     0       0.723  -1.558  -2.834  0.00  0.00           H+0
HETATM   57  H   UNK     0       0.575  -4.302  -2.173  0.00  0.00           H+0
HETATM   58  H   UNK     0      -0.782  -3.430  -1.108  0.00  0.00           H+0
HETATM   59  H   UNK     0      -1.621  -2.473  -2.845  0.00  0.00           H+0
HETATM   60  H   UNK     0      -1.069  -2.075   2.092  0.00  0.00           H+0
HETATM   61  H   UNK     0      -0.340  -3.504   1.199  0.00  0.00           H+0
HETATM   62  H   UNK     0      -2.068  -2.937   0.862  0.00  0.00           H+0
HETATM   63  H   UNK     0      -1.733  -0.195   1.214  0.00  0.00           H+0
HETATM   64  H   UNK     0      -1.206   0.412  -0.358  0.00  0.00           H+0
HETATM   65  H   UNK     0      -3.127   1.035   0.155  0.00  0.00           H+0
HETATM   66  H   UNK     0      -4.754   1.839   0.908  0.00  0.00           H+0
HETATM   67  H   UNK     0      -7.071   0.075   1.884  0.00  0.00           H+0
HETATM   68  H   UNK     0      -5.734   0.885   2.861  0.00  0.00           H+0
HETATM   69  H   UNK     0      -8.048   1.992   1.857  0.00  0.00           H+0
HETATM   70  H   UNK     0      -6.594   0.194  -0.870  0.00  0.00           H+0
HETATM   71  H   UNK     0      -7.106   2.802  -1.092  0.00  0.00           H+0
HETATM   72  H   UNK     0      -5.617   1.809  -2.544  0.00  0.00           H+0
HETATM   73  H   UNK     0      -3.619   2.832  -1.192  0.00  0.00           H+0
HETATM   74  H   UNK     0      -3.282   0.926  -2.216  0.00  0.00           H+0
HETATM   75  H   UNK     0      -4.451  -0.535  -3.285  0.00  0.00           H+0
CONECT    1    2   36   37                                                  
CONECT    2    1    3   38                                                  
CONECT    3    2    4    5    9                                             
CONECT    4    3   39   40   41                                             
CONECT    5    3    6   42   43                                             
CONECT    6    5    7   44   45                                             
CONECT    7    6    8   14                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8    3   46   47                                             
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   48   49                                             
CONECT   13   12   14   21   50                                             
CONECT   14   13   15   16    7                                             
CONECT   15   14   51   52   53                                             
CONECT   16   14   17   54   55                                             
CONECT   17   16   18   19   56                                             
CONECT   18   17   57                                                       
CONECT   19   17   20   21   58                                             
CONECT   20   19   59                                                       
CONECT   21   19   22   23   13                                             
CONECT   22   21   60   61   62                                             
CONECT   23   21   24   63   64                                             
CONECT   24   23   25                                                       
CONECT   25   24   26   34   65                                             
CONECT   26   25   27                                                       
CONECT   27   26   28   30   66                                             
CONECT   28   27   29   67   68                                             
CONECT   29   28   69                                                       
CONECT   30   27   31   32   70                                             
CONECT   31   30   71                                                       
CONECT   32   30   33   34   72                                             
CONECT   33   32   73                                                       
CONECT   34   32   35   25   74                                             
CONECT   35   34   75                                                       
CONECT   36    1                                                            
CONECT   37    1                                                            
CONECT   38    2                                                            
CONECT   39    4                                                            
CONECT   40    4                                                            
CONECT   41    4                                                            
CONECT   42    5                                                            
CONECT   43    5                                                            
CONECT   44    6                                                            
CONECT   45    6                                                            
CONECT   46    9                                                            
CONECT   47    9                                                            
CONECT   48   12                                                            
CONECT   49   12                                                            
CONECT   50   13                                                            
CONECT   51   15                                                            
CONECT   52   15                                                            
CONECT   53   15                                                            
CONECT   54   16                                                            
CONECT   55   16                                                            
CONECT   56   17                                                            
CONECT   57   18                                                            
CONECT   58   19                                                            
CONECT   59   20                                                            
CONECT   60   22                                                            
CONECT   61   22                                                            
CONECT   62   22                                                            
CONECT   63   23                                                            
CONECT   64   23                                                            
CONECT   65   25                                                            
CONECT   66   27                                                            
CONECT   67   28                                                            
CONECT   68   28                                                            
CONECT   69   29                                                            
CONECT   70   30                                                            
CONECT   71   31                                                            
CONECT   72   32                                                            
CONECT   73   33                                                            
CONECT   74   34                                                            
CONECT   75   35                                                            
MASTER        0    0    0    0    0    0    0    0   75    0  156    0
END

RDKit          3D

75 78  0  0  0  0  0  0  0  0999 V2000
    7.2414    2.4563    1.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6089    1.3444    1.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3006    0.9555    1.0529 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5477    2.2574    0.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4912    0.1792   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3556   -0.7139   -0.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1355   -0.5298    0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071   -0.1263    1.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5293    0.1775    2.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0124    0.0202    2.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.1973    3.5540 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -0.0548    1.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8078   -1.1723    0.6078 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8308   -0.8413   -0.4154 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5089    0.2694   -1.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.1252   -1.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.3152   -2.0058 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9279   -3.5337   -2.7197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5035   -2.3504   -1.2182 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5146   -1.8560   -2.0858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007   -1.6376    0.0851 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0534   -2.6347    1.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4993   -0.5026    0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7493   -0.8834   -0.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6299    0.1648   -0.2732 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6822   -0.1571    0.6042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4433    0.9774    0.7647 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3691    0.9152    1.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0751    2.1222    1.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2193    1.1905   -0.5296 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2332    2.1060   -0.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1716    1.6284   -1.5602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6108    2.8087   -1.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1445    0.5512   -1.6408 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6846   -0.5229   -2.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7949    3.0837    0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1799    2.7575    1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0383    0.7026    2.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7134    2.5073   -0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4657    2.1320    0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9498    3.0695    1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7738    0.8939   -1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053   -0.4614   -0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6473   -1.8047   -0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1053   -0.5056   -1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4090    0.8318    2.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1147   -0.7432    2.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229    0.9162    1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1254   -0.1980    2.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2646   -2.0387    1.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5788    0.2156   -1.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175    0.3114   -2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5942    1.2336   -0.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2027   -2.9885   -0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8463   -2.0710   -1.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7231   -1.5582   -2.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751   -4.3018   -2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -3.4300   -1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6215   -2.4733   -2.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0693   -2.0748    2.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3398   -3.5041    1.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0680   -2.9372    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.1953    1.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2058    0.4117   -0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1268    1.0349    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7543    1.8392    0.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0712    0.0752    1.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7341    0.8851    2.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0483    1.9922    1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5942    0.1938   -0.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1061    2.8021   -1.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6165    1.8088   -2.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6192    2.8321   -1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817    0.9255   -2.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4508   -0.5347   -3.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  3  2  1  1
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
  9  3  1  0
 21 13  1  0
 34 25  1  0
 14  7  1  0
  1 36  1  0
  1 37  1  0
  2 38  1  0
  4 39  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  5 43  1  0
  6 44  1  0
  6 45  1  0
  9 46  1  0
  9 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  1
 15 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  6
 18 57  1  0
 19 58  1  1
 20 59  1  0
 22 60  1  0
 22 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
 25 65  1  1
 27 66  1  1
 28 67  1  0
 28 68  1  0
 29 69  1  0
 30 70  1  6
 31 71  1  0
 32 72  1  6
 33 73  1  0
 34 74  1  6
 35 75  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Not Available

Chemical Formula

C₂₆H₄₀O₉

Average Mass

496.5970 Da

Monoisotopic Mass

496.26723 Da

IUPAC Name

(1S,2R,3R,4aS,7S,10aR)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-1-({[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthren-9-one

Traditional Name

(1S,2R,3R,4aS,7S,10aR)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-1-({[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3,4,5,6,8,10,10a-octahydrophenanthren-9-one

CAS Registry Number

Not Available

SMILES

C[C@@]1(CCC2=C(C1)C(=O)C[C@H]1[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)C[C@]21C)C=C

InChI Identifier

InChI=1S/C26H40O9/c1-5-24(2)7-6-14-13(9-24)15(28)8-18-25(14,3)10-16(29)22(33)26(18,4)12-34-23-21(32)20(31)19(30)17(11-27)35-23/h5,16-23,27,29-33H,1,6-12H2,2-4H3/t16-,17-,18-,19-,20-,21+,22+,23-,24+,25-,26-/m1/s1

InChI Key

MAUNRHHHTKXIPX-LVEBLLTKSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Acremonium	NPAtlas	10869218
Acremonium striatisporum KMM 4401	Fungi	KNApSAcK
Sagenomella striatispora	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-0.55	ALOGPS
logP	-0.19	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	12.19	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	156.91 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	126.11 m³·mol⁻¹	ChemAxon
Polarizability	52.86 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA004172

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8848243

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10672891

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Afiyatullov SS, Kuznetsova TA, Isakov VV, Pivkin MV, Prokof'eva NG, Elyakov GB: New diterpenic altrosides of the fungus Acremonium striatisporum isolated from a sea cucumber. J Nat Prod. 2000 Jun;63(6):848-50. doi: 10.1021/np9904004. [PubMed:10869218 ]
Kim S, Park KY, Chung J, Kim YB, Lee JW, Huh SK: Comparative Analysis of Feasibility of the Retrograde Suction Decompression Technique for Microsurgical Treatment of Large and Giant Internal Carotid Artery Aneurysms. J Korean Neurosurg Soc. 2021 Aug 12. pii: jkns.2021.0066. doi: 10.3340/jkns.2021.0066. [PubMed:34380192 ]
Bahloul M, Kharrat S, Chtara K, Hafdhi M, Turki O, Baccouche N, Ammar R, Kallel N, Hsairi M, Chakroun-Walha O, Hamida CB, Chelly H, Mahfoudh KB, Karoui A, Karray H, Rekik N, Bouaziz M: Clinical characteristics and outcomes of critically ill COVID-19 patients in Sfax, Tunisia. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00129. doi: 10.4266/acc.2021.00129. [PubMed:34380191 ]
Yi J, Kim KH: Identification and infection control of carbapenem-resistant Enterobacterales in intensive care units. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00409. doi: 10.4266/acc.2021.00409. [PubMed:34380190 ]
Lee Y, Kim SH, Hwang HY, Sohn SH, Choi JW, Kim KH: Perfusion parameters during cardiopulmonary bypass as a predictor of acute kidney injury after aortic valve replacement. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00094. doi: 10.4266/acc.2021.00094. [PubMed:34380189 ]

Showing NP-Card for Virescenoside M (NP0003339)

MOL for NP0003339 (Virescenoside M)

3D MOL for NP0003339 (Virescenoside M)

3D SDF for NP0003339 (Virescenoside M)

3D-SDF for NP0003339 (Virescenoside M)

PDB for NP0003339 (Virescenoside M)

3D PDB for NP0003339 (Virescenoside M)

SMILES for NP0003339 (Virescenoside M)

INCHI for NP0003339 (Virescenoside M)

Structure for NP0003339 (Virescenoside M)

3D Structure for NP0003339 (Virescenoside M)