Glycoside
...
GD156215

Name:
10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5-hydroxy-3-[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C56H88O20

Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

Aglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:
OC1COC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 11 FractionCSP3: 0.86
AlogP: 2.14 Num_rotatable_bonds: 14
MolWt: 1081.3 Num_heavy_atoms: 76
TPSA: 321.28 NumAromaticRings: 0

Unique Aglycone
AD01643
Formula: C40H62O7

Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.8
AlogP: 7.39 Num_rotatable_bonds: 7
MolWt: 654.93 Num_heavy_atoms: 47
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00292

OC1COC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(O)C1O