Glycoside
...
GD123384

Name:
9,12-dihydroxy-2-(2-hydroxy-3-methyl-4-oxopentyl)-4a,4b,7,7,10a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydrochrysene-2-carboxylic acid

Formula:
C36H58O12

Smiles:
CC(=O)C(C)C(O)CC1(C(=O)O)C=C2C(O)CC3C4(C)CC(O)C(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C2(C)CC1

Aglycone:
CC(=O)C(C)C(O)CC1(C(=O)O)C=C2C(O)CC3C4(C)CC(O)C(O)C(C)(C)C4CCC3(C)C2(C)CC1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 8 FractionCSP3: 0.89
AlogP: 1.54 Num_rotatable_bonds: 8
MolWt: 682.85 Num_heavy_atoms: 48
TPSA: 214.44 NumAromaticRings: 0

Unique Aglycone
AD49785
Formula: C30H48O7

Smiles:
CC(=O)C(C)C(O)CC1(C(=O)O)C=C2C(O)CC3C4(C)CC(O)C(O)C(C)(C)C4CCC3(C)C2(C)CC1
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.87
AlogP: 3.72 Num_rotatable_bonds: 5
MolWt: 520.71 Num_heavy_atoms: 37
TPSA: 135.29 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O