Glycoside
...
GD144893

Name:
[3a-({[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl]oxidanesulfonic acid

Formula:
C48H78O20S

Smiles:
C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C12

Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C12

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 10 FractionCSP3: 0.94
AlogP: 0.85 Num_rotatable_bonds: 11
MolWt: 1007.2 Num_heavy_atoms: 69
TPSA: 318.12 NumAromaticRings: 0

Unique Aglycone
AD58189
Formula: C30H48O6S

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C12
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.92 Num_rotatable_bonds: 4
MolWt: 536.78 Num_heavy_atoms: 37
TPSA: 100.9 NumAromaticRings: 0

Sugarmoiety
SD00047

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O