NP-MRD: Showing NP-Card for 3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione (NP0308944)

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Record Information

Version

1.0

Created at

2022-09-11 03:08:15 UTC

Updated at

2022-09-11 03:08:16 UTC

NP-MRD ID

NP0308944

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione

Description

3,4,13,15,25,35,37-Heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]Hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. 3,4,13,15,25,35,37-Heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]Hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004251505532D          

 99103  0  0  0  0            999 V2000
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M  END


  Mrv1533004251505532D          

 99103  0  0  0  0            999 V2000
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   15.0718   -0.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0308944

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1CC(C)OC(CCC(C)C(O)C(C)C2OC(=O)C=CC(C)=CCC(O)CC3OC(CC=C3)CC(OC)C(C)C(O)CC(O)C(C)C(OC(=O)C=CC(C)=CC(O)C(O)CC3OC(CC=C3)CC(OC)C(C)C(O)CC(O)C2C)C(C)C(O)C(C)CCC2CC(CC(C)O2)OC)C1

> <INCHI_IDENTIFIER>
InChI=1S/C78H132O21/c1-44-23-28-56(79)36-57-19-17-21-59(96-57)40-71(92-15)50(7)65(80)42-68(83)53(10)78(55(12)76(89)47(4)27-30-62-38-64(91-14)35-49(6)95-62)99-74(87)32-25-45(2)33-69(84)70(85)39-58-20-18-22-60(97-58)41-72(93-16)51(8)66(81)43-67(82)52(9)77(98-73(86)31-24-44)54(11)75(88)46(3)26-29-61-37-63(90-13)34-48(5)94-61/h17-20,23-25,31-33,46-72,75-85,88-89H,21-22,26-30,34-43H2,1-16H3

> <INCHI_KEY>
OUHHMOKGNAPPAY-UHFFFAOYSA-N

> <FORMULA>
C78H132O21

> <MOLECULAR_WEIGHT>
1405.893

> <EXACT_MASS>
1404.92611127

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_ATOM_COUNT>
231

> <JCHEM_AVERAGE_POLARIZABILITY>
159.93378387489332

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione

> <ALOGPS_LOGP>
4.33

> <JCHEM_LOGP>
5.959261583000005

> <ALOGPS_LOGS>
-5.61

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.017179346480162

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.450675347045141

> <JCHEM_PKA_STRONGEST_BASIC>
-2.889100131691844

> <JCHEM_POLAR_SURFACE_AREA>
308.51

> <JCHEM_REFRACTIVITY>
387.1226999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.46e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0      11.762  10.599   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      13.188  10.017   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      13.397   8.491   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.180   7.547   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.389   6.022   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.173   5.078   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      13.815   5.440   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      15.032   6.384   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      16.458   5.802   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.667   4.277   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      18.093   3.695   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      19.310   4.639   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      18.302   2.169   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      17.086   1.225   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      19.728   1.588   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      20.945   2.532   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      19.937   0.062   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      21.475   0.151   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      23.007  -0.002   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      23.280   1.514   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      24.497  -0.393   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      25.907  -1.011   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      27.203  -1.843   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      28.353  -2.867   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      29.329  -4.059   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      30.106  -5.388   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      31.492  -4.718   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      30.666  -6.823   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      30.994  -8.328   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      31.736  -9.677   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      30.938 -10.995   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      29.399 -10.963   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      28.657  -9.613   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      29.454  -8.296   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      30.539 -12.887   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      29.921 -14.297   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      31.278 -15.025   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      32.587 -14.213   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      29.089 -15.594   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      30.316 -16.524   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      28.065 -16.743   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      29.131 -17.855   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      26.873 -17.719   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      25.544 -18.496   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      26.214 -19.883   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      24.109 -19.056   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      24.554 -20.530   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      22.604 -19.384   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      21.067 -19.473   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      19.534 -19.320   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      19.262 -20.836   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0      18.045 -18.930   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      16.634 -18.311   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      15.338 -17.479   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      14.188 -16.455   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      13.213 -15.263   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0      11.948 -16.142   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0      12.436 -13.934   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0      11.049 -14.604   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0      11.876 -12.499   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      11.548 -10.995   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0      12.345  -9.677   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0      11.603  -8.328   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      10.064  -8.296   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       9.266  -9.613   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      10.008 -10.963   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      12.002  -6.435   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      12.621  -5.025   0.000  0.00  0.00           C+0
HETATM   69  O   UNK     0      11.264  -4.297   0.000  0.00  0.00           O+0
HETATM   70  C   UNK     0       9.955  -5.109   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      13.453  -3.729   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      12.226  -2.798   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      14.477  -2.579   0.000  0.00  0.00           C+0
HETATM   74  O   UNK     0      13.411  -1.467   0.000  0.00  0.00           O+0
HETATM   75  C   UNK     0      15.669  -1.603   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      16.998  -0.826   0.000  0.00  0.00           C+0
HETATM   77  O   UNK     0      16.328   0.560   0.000  0.00  0.00           O+0
HETATM   78  C   UNK     0      18.433  -0.266   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0      17.987   1.208   0.000  0.00  0.00           C+0
HETATM   80  C   UNK     0      14.408 -18.706   0.000  0.00  0.00           C+0
HETATM   81  C   UNK     0      22.813 -20.910   0.000  0.00  0.00           C+0
HETATM   82  C   UNK     0      24.239 -21.492   0.000  0.00  0.00           C+0
HETATM   83  C   UNK     0      21.597 -21.854   0.000  0.00  0.00           C+0
HETATM   84  O   UNK     0      20.171 -21.272   0.000  0.00  0.00           O+0
HETATM   85  C   UNK     0      21.806 -23.380   0.000  0.00  0.00           C+0
HETATM   86  C   UNK     0      23.232 -23.961   0.000  0.00  0.00           C+0
HETATM   87  C   UNK     0      20.589 -24.324   0.000  0.00  0.00           C+0
HETATM   88  C   UNK     0      20.798 -25.849   0.000  0.00  0.00           C+0
HETATM   89  C   UNK     0      19.582 -26.794   0.000  0.00  0.00           C+0
HETATM   90  C   UNK     0      19.791 -28.319   0.000  0.00  0.00           C+0
HETATM   91  C   UNK     0      18.574 -29.263   0.000  0.00  0.00           C+0
HETATM   92  C   UNK     0      17.148 -28.682   0.000  0.00  0.00           C+0
HETATM   93  C   UNK     0      16.939 -27.156   0.000  0.00  0.00           C+0
HETATM   94  C   UNK     0      15.513 -26.574   0.000  0.00  0.00           C+0
HETATM   95  O   UNK     0      18.156 -26.212   0.000  0.00  0.00           O+0
HETATM   96  O   UNK     0      18.784 -30.789   0.000  0.00  0.00           O+0
HETATM   97  C   UNK     0      17.567 -31.733   0.000  0.00  0.00           C+0
HETATM   98  C   UNK     0      28.134  -0.616   0.000  0.00  0.00           C+0
HETATM   99  C   UNK     0      14.823   7.910   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   99                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   99                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   78                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   98                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   35                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   29                                                       
CONECT   35   31   36                                                       
CONECT   36   35   37   39                                                  
CONECT   37   36   38                                                       
CONECT   38   37                                                            
CONECT   39   36   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49   81                                                  
CONECT   49   48   50                                                       
CONECT   50   49   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55   80                                                  
CONECT   55   54   56                                                       
CONECT   56   55   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56   59   60                                                  
CONECT   59   58                                                            
CONECT   60   58   61                                                       
CONECT   61   60   62   66                                                  
CONECT   62   61   63                                                       
CONECT   63   62   64   67                                                  
CONECT   64   63   65                                                       
CONECT   65   64   66                                                       
CONECT   66   65   61                                                       
CONECT   67   63   68                                                       
CONECT   68   67   69   71                                                  
CONECT   69   68   70                                                       
CONECT   70   69                                                            
CONECT   71   68   72   73                                                  
CONECT   72   71                                                            
CONECT   73   71   74   75                                                  
CONECT   74   73                                                            
CONECT   75   73   76                                                       
CONECT   76   75   77   78                                                  
CONECT   77   76                                                            
CONECT   78   76   17   79                                                  
CONECT   79   78                                                            
CONECT   80   54                                                            
CONECT   81   48   82   83                                                  
CONECT   82   81                                                            
CONECT   83   81   84   85                                                  
CONECT   84   83                                                            
CONECT   85   83   86   87                                                  
CONECT   86   85                                                            
CONECT   87   85   88                                                       
CONECT   88   87   89                                                       
CONECT   89   88   90   95                                                  
CONECT   90   89   91                                                       
CONECT   91   90   92   96                                                  
CONECT   92   91   93                                                       
CONECT   93   92   94   95                                                  
CONECT   94   93                                                            
CONECT   95   93   89                                                       
CONECT   96   91   97                                                       
CONECT   97   96                                                            
CONECT   98   23                                                            
CONECT   99    8    3                                                       
MASTER        0    0    0    0    0    0    0    0   99    0  206    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₇₈H₁₃₂O₂₁

Average Mass

1405.8930 Da

Monoisotopic Mass

1404.92611 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1CC(C)OC(CCC(C)C(O)C(C)C2OC(=O)C=CC(C)=CCC(O)CC3OC(CC=C3)CC(OC)C(C)C(O)CC(O)C(C)C(OC(=O)C=CC(C)=CC(O)C(O)CC3OC(CC=C3)CC(OC)C(C)C(O)CC(O)C2C)C(C)C(O)C(C)CCC2CC(CC(C)O2)OC)C1

InChI Identifier

InChI=1S/C78H132O21/c1-44-23-28-56(79)36-57-19-17-21-59(96-57)40-71(92-15)50(7)65(80)42-68(83)53(10)78(55(12)76(89)47(4)27-30-62-38-64(91-14)35-49(6)95-62)99-74(87)32-25-45(2)33-69(84)70(85)39-58-20-18-22-60(97-58)41-72(93-16)51(8)66(81)43-67(82)52(9)77(98-73(86)31-24-44)54(11)75(88)46(3)26-29-61-37-63(90-13)34-48(5)94-61/h17-20,23-25,31-33,46-72,75-85,88-89H,21-22,26-30,34-43H2,1-16H3

InChI Key

OUHHMOKGNAPPAY-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Dicarboxylic acid or derivatives
Oxane
Pyran
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Polyol
Ether
Dialkyl ether
Carboxylic acid derivative
Organoheterocyclic compound
Alcohol
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	4.33	ALOGPS
logP	5.96	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	13.45	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	19	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	308.51 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	387.12 m³·mol⁻¹	ChemAxon
Polarizability	159.93 Å³	ChemAxon
Number of Rings	5	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

74052227

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione (NP0308944)

MOL for NP0308944 (3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)

3D MOL for NP0308944 (3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)

3D SDF for NP0308944 (3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)

3D-SDF for NP0308944 (3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)

PDB for NP0308944 (3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)

3D PDB for NP0308944 (3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)

SMILES for NP0308944 (3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)

INCHI for NP0308944 (3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)

Structure for NP0308944 (3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)

3D Structure for NP0308944 (3,4,13,15,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)