Glycoside
...
GD130270

Name:
5,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

Formula:
C36H58O8

Smiles:
C=C(C)C1CCC2(C(=O)O)CC(C)C3C(CCC4C3(C)CCC3C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC34C)C12

Aglycone:
C=C(C)C1CCC2(C(=O)O)CC(C)C3C(CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C12

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

Other Identifiers

Properties
HBA: 8 RingCount: 6
HBD: 5 FractionCSP3: 0.92
AlogP: 4.77 Num_rotatable_bonds: 5
MolWt: 618.85 Num_heavy_atoms: 44
TPSA: 136.68 NumAromaticRings: 0

Unique Aglycone
AD52787
Formula: C30H48O3

Smiles:
C=C(C)C1CCC2(C(=O)O)CC(C)C3C(CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C12
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.95 Num_rotatable_bonds: 2
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00003

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