Glycoside
...
GD138559

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

Formula:
C36H56O13S

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

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 6 FractionCSP3: 0.89
AlogP: 3.24 Num_rotatable_bonds: 7
MolWt: 728.9 Num_heavy_atoms: 50
TPSA: 217.35 NumAromaticRings: 0

Unique Aglycone
AD55914
Formula: C30H46O8S

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C(=O)O)C5CCC43C)C12
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.98 Num_rotatable_bonds: 5
MolWt: 566.76 Num_heavy_atoms: 39
TPSA: 138.2 NumAromaticRings: 0

Sugarmoiety
SD00003

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