NP-MRD: Showing NP-Card for 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester (NP0334889)

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Record Information

Version

2.0

Created at

2024-09-10 22:57:00 UTC

Updated at

2024-09-10 22:57:00 UTC

NP-MRD ID

NP0334889

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester

Description

Based on a literature review very few articles have been published on 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262301292D          

 66 72  0  0  0  0            999 V2000
    7.7456    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583    2.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9830    2.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3340   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6175    2.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4067   -2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5402    8.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9948    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7507   -2.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1901   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8256    4.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5266    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1365    4.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0  0  0  0
  9  8  1  0  0  0  0
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 18  1  1  0  0  0  0
 18 12  1  0  0  0  0
 19  2  1  0  0  0  0
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 21 13  1  0  0  0  0
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 66 41  1  0  0  0  0
 66 44  1  0  0  0  0
M  END


  Mrv2104 05262301292D          

 66 72  0  0  0  0            999 V2000
    7.7456    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583    2.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9830    2.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3340   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 66 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0334889

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1/C46H74O20/c1-18(19(2)41(60)66-44-40(37(57)34(54)30(17-49)64-44)65-43-39(59)36(56)33(53)29(16-48)63-43)12-27(50)20(3)24-8-9-25-23-7-6-21-13-22(61-42-38(58)35(55)32(52)28(15-47)62-42)14-31(51)46(21,5)26(23)10-11-45(24,25)4/h6,20,22-40,42-44,47-59H,7-17H2,1-5H3/b19-18-

> <INCHI_KEY>
SLKLMANSFWXKFP-HNENSFHCNA-N

> <FORMULA>
C46H74O20

> <MOLECULAR_WEIGHT>
947.078

> <EXACT_MASS>
946.477344783

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_ATOM_COUNT>
140

> <JCHEM_AVERAGE_POLARIZABILITY>
100.48517230459068

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
13

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (2Z)-5-hydroxy-6-(9-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2,3-dimethylhept-2-enoate

> <JCHEM_LOGP>
-2.046412501333334

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.313295767349445

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.847309208373554

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6483775347656677

> <JCHEM_POLAR_SURFACE_AREA>
335.44000000000005

> <JCHEM_REFRACTIVITY>
227.78790000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (2Z)-5-hydroxy-6-(9-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl)-2,3-dimethylhept-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0      14.458   2.388   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.349   4.820   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.302   4.447   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.069   3.240   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.373   2.489   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.319  -1.585   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.835  -1.314   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.365   0.325   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.090  -0.539   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.889   2.761   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.405   3.032   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.353   4.025   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.811  -0.678   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.341   1.947   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.759  -5.024   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      17.808  15.389   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.977  10.947   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.878   3.815   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.823   5.030   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.882   3.020   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.326  -0.407   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.182   0.499   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.358   0.135   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.937   1.804   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.874   0.406   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.366   1.312   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.407   2.809   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.752  -3.846   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      18.389  13.962   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.502  10.736   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.857   2.218   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -3.268  -4.117   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      19.914  13.752   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.447  11.952   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -4.261  -2.940   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      20.495  12.325   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      14.973  11.741   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -3.737  -1.492   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      19.549  11.109   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      15.553  10.315   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      14.243   6.457   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -2.222  -1.221   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      18.024  11.320   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      14.608   9.099   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       7.397   1.854   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       2.850   1.041   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      -1.282  -6.472   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0      16.283  15.600   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0      10.031   9.731   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0      11.988   1.383   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0       2.380   3.667   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      -3.791  -5.566   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      20.859  14.967   0.000  0.00  0.00           O+0
HETATM   54  O   UNK     0      12.867  13.379   0.000  0.00  0.00           O+0
HETATM   55  O   UNK     0      -5.777  -3.211   0.000  0.00  0.00           O+0
HETATM   56  O   UNK     0      22.020  12.115   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0      15.918  12.957   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      -4.730  -0.314   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0      20.130   9.683   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0      12.717   6.668   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0      -1.698   0.228   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0      -1.229  -2.398   0.000  0.00  0.00           O+0
HETATM   63  O   UNK     0      17.443  12.747   0.000  0.00  0.00           O+0
HETATM   64  O   UNK     0      13.082   9.310   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0      17.079  10.104   0.000  0.00  0.00           O+0
HETATM   66  O   UNK     0      15.188   7.673   0.000  0.00  0.00           O+0
CONECT    1   18                                                            
CONECT    2   19                                                            
CONECT    3   20                                                            
CONECT    4   45                                                            
CONECT    5   46                                                            
CONECT    6    7   21                                                       
CONECT    7    6   23                                                       
CONECT    8    9   24                                                       
CONECT    9    8   25                                                       
CONECT   10   11   26                                                       
CONECT   11   10   45                                                       
CONECT   12   18   27                                                       
CONECT   13   21   22                                                       
CONECT   14   22   31                                                       
CONECT   15   28   47                                                       
CONECT   16   29   48                                                       
CONECT   17   30   49                                                       
CONECT   18    1   12   19                                                  
CONECT   19    2   18   41                                                  
CONECT   20    3   24   27                                                  
CONECT   21    6   13   46                                                  
CONECT   22   13   14   61                                                  
CONECT   23    7   25   26                                                  
CONECT   24    8   20   45                                                  
CONECT   25    9   23   45                                                  
CONECT   26   10   23   46                                                  
CONECT   27   12   20   50                                                  
CONECT   28   15   32   62                                                  
CONECT   29   16   33   63                                                  
CONECT   30   17   34   64                                                  
CONECT   31   14   46   51                                                  
CONECT   32   28   35   52                                                  
CONECT   33   29   36   53                                                  
CONECT   34   30   37   54                                                  
CONECT   35   32   38   55                                                  
CONECT   36   33   39   56                                                  
CONECT   37   34   40   57                                                  
CONECT   38   35   42   58                                                  
CONECT   39   36   43   59                                                  
CONECT   40   37   44   65                                                  
CONECT   41   19   60   66                                                  
CONECT   42   38   61   62                                                  
CONECT   43   39   63   65                                                  
CONECT   44   40   64   66                                                  
CONECT   45    4   11   24   25                                             
CONECT   46    5   21   26   31                                             
CONECT   47   15                                                            
CONECT   48   16                                                            
CONECT   49   17                                                            
CONECT   50   27                                                            
CONECT   51   31                                                            
CONECT   52   32                                                            
CONECT   53   33                                                            
CONECT   54   34                                                            
CONECT   55   35                                                            
CONECT   56   36                                                            
CONECT   57   37                                                            
CONECT   58   38                                                            
CONECT   59   39                                                            
CONECT   60   41                                                            
CONECT   61   22   42                                                       
CONECT   62   28   42                                                       
CONECT   63   29   43                                                       
CONECT   64   30   44                                                       
CONECT   65   40   43                                                       
CONECT   66   41   44                                                       
MASTER        0    0    0    0    0    0    0    0   66    0  144    0
END

View in JSmol

Synonyms

Value	Source
1a,3b,22R-Trihydroxyergosta-5,24E-dien-26-Oate 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester	Generator
1a,3b,22R-Trihydroxyergosta-5,24E-dien-26-Oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester	Generator
1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-Oate 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester	Generator
1Α,3β,22R-trihydroxyergosta-5,24E-dien-26-Oate 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester	Generator
1Α,3β,22R-trihydroxyergosta-5,24E-dien-26-Oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester	Generator

Chemical Formula

C₄₆H₇₄O₂₀

Average Mass

947.0780 Da

Monoisotopic Mass

946.47734 Da

IUPAC Name

4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (2Z)-5-hydroxy-6-(9-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2,3-dimethylhept-2-enoate

Traditional Name

4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (2Z)-5-hydroxy-6-(9-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl)-2,3-dimethylhept-2-enoate

CAS Registry Number

Not Available

SMILES

CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O

InChI Identifier

InChI=1/C46H74O20/c1-18(19(2)41(60)66-44-40(37(57)34(54)30(17-49)64-44)65-43-39(59)36(56)33(53)29(16-48)63-43)12-27(50)20(3)24-8-9-25-23-7-6-21-13-22(61-42-38(58)35(55)32(52)28(15-47)62-42)14-31(51)46(21,5)26(23)10-11-45(24,25)4/h6,20,22-40,42-44,47-59H,7-17H2,1-5H3/b19-18-

InChI Key

SLKLMANSFWXKFP-HNENSFHCNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

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	-2	ChemAxon
pKa (Strongest Acidic)	11.85	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	19	ChemAxon
Hydrogen Donor Count	13	ChemAxon
Polar Surface Area	335.44 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	227.79 m³·mol⁻¹	ChemAxon
Polarizability	100.49 Å³	ChemAxon
Number of Rings	7	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester (NP0334889)

MOL for NP0334889 (1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester)

3D MOL for NP0334889 (1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester)

3D SDF for NP0334889 (1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester)

3D-SDF for NP0334889 (1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester)

PDB for NP0334889 (1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester)

3D PDB for NP0334889 (1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester)

SMILES for NP0334889 (1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester)

INCHI for NP0334889 (1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester)

Structure for NP0334889 (1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester)

3D Structure for NP0334889 (1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester)