Glycoside
...
GD117249

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 8,9,12-trihydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethyl-2-(3-methyl-4-oxopentyl)-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydrochrysene-2-carboxylate

Formula:
C36H58O12

Smiles:
CC(=O)C(C)CCC1(C(=O)OC2OC(CO)C(O)C(O)C2O)C=C2C(O)CC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C2(C)CC1

Aglycone:
CC(=O)C(C)CCC1(C(=O)O)C=C2C(O)CC3C4(C)CC(O)C(O)C(C)(CO)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: 0.98 Num_rotatable_bonds: 8
MolWt: 682.85 Num_heavy_atoms: 48
TPSA: 214.44 NumAromaticRings: 0

Unique Aglycone
AD46719
Formula: C30H48O7

Smiles:
CC(=O)C(C)CCC1(C(=O)O)C=C2C(O)CC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C2(C)CC1
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.87
AlogP: 3.72 Num_rotatable_bonds: 6
MolWt: 520.71 Num_heavy_atoms: 37
TPSA: 135.29 NumAromaticRings: 0

Sugarmoiety
SD00003

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