NP-MRD: Showing NP-Card for (2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol (NP0309034)

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Record Information

Version

1.0

Created at

2022-09-11 03:18:30 UTC

Updated at

2022-09-11 03:18:30 UTC

NP-MRD ID

NP0309034

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Description

(2R,3R,4S,5R,6R)-2-{[(2S,3S,4R,5R,6R)-6-{[(2R,3R,4S,5R,6R)-6-{[(6S,7S,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. (2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol is found in Pratia nummularia. Based on a literature review very few articles have been published on (2R,3R,4S,5R,6R)-2-{[(2S,3S,4R,5R,6R)-6-{[(2R,3R,4S,5R,6R)-6-{[(6S,7S,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112205182D          

 50 52  0  0  1  0            999 V2000
   -6.4302    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  3  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 17  1  1  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 23 22  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 28 27  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 28 37  1  0  0  0  0
 37 38  1  1  0  0  0
 25 39  1  0  0  0  0
 39 40  1  1  0  0  0
 39 41  1  0  0  0  0
 41 42  1  1  0  0  0
 41 43  1  0  0  0  0
 23 43  1  0  0  0  0
 43 44  1  1  0  0  0
 20 45  1  0  0  0  0
 45 46  1  6  0  0  0
 45 47  1  0  0  0  0
 47 48  1  6  0  0  0
 47 49  1  0  0  0  0
 18 49  1  0  0  0  0
 49 50  1  1  0  0  0
M  END

     RDKit          3D

 98100  0  0  0  0  0  0  0  0999 V2000
   -8.8207    6.2529    1.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2415    5.0783    1.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4048    5.2356    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8337    4.1309   -0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3616    3.1847   -1.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8195    2.0561   -1.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3771    1.0832   -2.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8561   -0.1309   -3.1883 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8289   -0.6491   -4.0486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4228   -1.1595   -2.1716 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6242   -1.5395   -1.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7754   -2.7615   -0.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8591   -3.2935   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0072   -2.4032    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8588   -2.0092   -0.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8674   -1.1628   -0.4083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4609   -0.5973   -1.3615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2746   -1.3245   -1.3450 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1055   -1.7731   -0.0405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552   -2.2986    0.2020 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1715   -1.4136    1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007   -1.8830    1.5371 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6607   -1.0046    2.4575 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8322   -0.4624    1.9004 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9329   -1.2864    2.2323 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9623   -1.1509    1.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4638    0.1269    0.9837 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4266    0.1560   -0.0227 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6153    0.5819    0.5646 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6933    0.4738   -0.3070 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7135    1.5062    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8397    1.4849   -0.7076 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3124    0.7037   -1.7307 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4037    1.1461   -2.4948 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1729    1.6661   -1.8058 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4213    2.8827   -1.2017 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9671    1.0466   -1.1251 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2325    0.3150   -2.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3451   -0.9118    3.6118 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9590    0.3386    3.6129 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0585   -0.8565    4.4514 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6217    0.4419    4.5541 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9720   -1.6896    3.7708 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8375   -1.5803    4.5884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0169   -2.4379   -1.0448 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2548   -2.8719   -0.6302 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1877   -1.0864   -1.7000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1109   -0.3091   -1.0084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1632   -0.4050   -1.7763 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3362   -0.0365   -3.1053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5819    6.1673    2.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4543    7.1694    1.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9268    6.1710    1.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4888    4.0588    1.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1526    6.2353   -0.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9725    0.1910   -3.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7016   -0.2748   -3.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1135   -2.0635   -2.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3451   -0.7756   -1.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9373   -3.4454   -1.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4803   -3.8007    0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2894   -4.1731   -0.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5919   -1.4642    0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6772   -2.8296    1.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3381   -1.4832   -1.6905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3786   -2.9370   -1.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3457   -0.7363   -1.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3238   -2.2333   -1.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9660   -3.3021    0.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7754   -1.5032    2.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1400   -0.3581    0.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023   -0.1551    2.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5859   -2.3612    2.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8659   -1.7947    1.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6154   -1.5058    0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5204   -0.8963   -0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028   -0.5198   -0.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1123    1.2777    1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500    2.5060    0.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3971    0.6869   -0.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9721   -0.2672   -2.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9319    0.3276   -2.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9101    1.7981   -2.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7550    3.1621   -0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3201    1.8824   -0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7318   -0.4922   -2.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9813   -1.6698    4.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9466    0.2824    3.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1966   -1.2719    5.4483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9984    1.0079    3.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2251   -2.7445    3.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2510   -0.8277    4.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4911   -3.1333   -1.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -2.4063   -1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6342   -1.2752   -2.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0949    0.5914   -1.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1815    0.4986   -1.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5716   -0.8091   -3.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END


  Mrv1652309112205182D          

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    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4302   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4302   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  3  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 17  1  1  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 23 22  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
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 28 27  1  6  0  0  0
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 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
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 33 35  1  0  0  0  0
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 35 37  1  0  0  0  0
 28 37  1  0  0  0  0
 37 38  1  1  0  0  0
 25 39  1  0  0  0  0
 39 40  1  1  0  0  0
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 41 42  1  1  0  0  0
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 23 43  1  0  0  0  0
 43 44  1  1  0  0  0
 20 45  1  0  0  0  0
 45 46  1  6  0  0  0
 45 47  1  0  0  0  0
 47 48  1  6  0  0  0
 47 49  1  0  0  0  0
 18 49  1  0  0  0  0
 49 50  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0309034

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C\C#CC#C[C@H](O)[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)\C=C\CCCO

> <INCHI_IDENTIFIER>
InChI=1S/C32H48O18/c1-2-3-4-5-7-10-16(35)17(11-8-6-9-12-33)47-32-29(44)26(41)23(38)20(50-32)15-46-31-28(43)25(40)22(37)19(49-31)14-45-30-27(42)24(39)21(36)18(13-34)48-30/h2-3,8,11,16-44H,6,9,12-15H2,1H3/b3-2+,11-8+/t16-,17-,18+,19-,20+,21-,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,32+/m0/s1

> <INCHI_KEY>
FBLZLVLZLQKTQA-NVOLHOCTSA-N

> <FORMULA>
C32H48O18

> <MOLECULAR_WEIGHT>
720.718

> <EXACT_MASS>
720.284064706

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
98

> <JCHEM_AVERAGE_POLARIZABILITY>
72.22700830464848

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5R,6R)-2-{[(4E,6S,7S,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

> <JCHEM_LOGP>
-3.7657355390000005

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.08913192287754

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.674320214349255

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6486684650801875

> <JCHEM_POLAR_SURFACE_AREA>
298.14

> <JCHEM_REFRACTIVITY>
169.06380000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,5R,6R)-2-{[(4E,6S,7S,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0     -12.003   0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -10.669  -0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -10.669  -1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.668  -3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -6.668 -11.550   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.668 -10.010   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      12.003  -6.930   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      12.003 -10.010   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       9.336 -11.550   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       6.668 -14.630   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       4.001 -14.630   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       4.001 -16.170   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       1.334 -14.630   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      -2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      -2.667 -13.860   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      -5.335 -12.320   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      -5.335  -9.240   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   17                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   10   18                                                       
CONECT   18   17   19   49                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   45                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   43                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   39                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   37                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   28   38                                                  
CONECT   38   37                                                            
CONECT   39   25   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   23   44                                                  
CONECT   44   43                                                            
CONECT   45   20   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   18   50                                                  
CONECT   50   49                                                            
MASTER        0    0    0    0    0    0    0    0   50    0  104    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₄₈O₁₈

Average Mass

720.7180 Da

Monoisotopic Mass

720.28406 Da

IUPAC Name

(2R,3R,4S,5R,6R)-2-{[(4E,6S,7S,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Traditional Name

CAS Registry Number

Not Available

SMILES

C\C=C\C#CC#C[C@H](O)[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)\C=C\CCCO

InChI Identifier

InChI=1S/C32H48O18/c1-2-3-4-5-7-10-16(35)17(11-8-6-9-12-33)47-32-29(44)26(41)23(38)20(50-32)15-46-31-28(43)25(40)22(37)19(49-31)14-45-30-27(42)24(39)21(36)18(13-34)48-30/h2-3,8,11,16-44H,6,9,12-15H2,1H3/b3-2+,11-8+/t16-,17-,18+,19-,20+,21-,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,32+/m0/s1

InChI Key

FBLZLVLZLQKTQA-NVOLHOCTSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Pratia nummularia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
Fatty acyl glycoside
Long chain fatty alcohol
Alkyl glycoside
O-glycosyl compound
Glycosyl compound
Fatty alcohol
Fatty acyl
Oxane
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

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	-3.8	ChemAxon
pKa (Strongest Acidic)	11.67	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	12	ChemAxon
Polar Surface Area	298.14 Å²	ChemAxon
Rotatable Bond Count	17	ChemAxon
Refractivity	169.06 m³·mol⁻¹	ChemAxon
Polarizability	72.23 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162934167

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol (NP0309034)

MOL for NP0309034 ((2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D MOL for NP0309034 ((2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D SDF for NP0309034 ((2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D-SDF for NP0309034 ((2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

PDB for NP0309034 ((2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D PDB for NP0309034 ((2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

SMILES for NP0309034 ((2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

INCHI for NP0309034 ((2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

Structure for NP0309034 ((2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D Structure for NP0309034 ((2r,3r,4s,5r,6r)-2-{[(4e,6s,7s,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)