Glycoside
...
GD132081

Name:
4-hydroxy-6-[(8,9,10-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-{[(3-methylbutanoyl)oxy]methyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C53H86O21

Smiles:
CC(C)CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C1CC(C)(C)C(O)C2O

Aglycone:
CC(C)CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C)C(O)C2O

Sugarmoiety:
CC1OC(OC2C(C(=O)O)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 12 FractionCSP3: 0.92
AlogP: 0.24 Num_rotatable_bonds: 12
MolWt: 1059.25 Num_heavy_atoms: 74
TPSA: 341.51 NumAromaticRings: 0

Unique Aglycone
AD53473
Formula: C35H58O6

Smiles:
CC(C)CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C)C(O)C2O
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.91
AlogP: 5.65 Num_rotatable_bonds: 4
MolWt: 574.84 Num_heavy_atoms: 41
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD01992

CC1OC(OC2C(C(=O)O)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O