Glycoside
...
GD151505

Name:
[8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxidanesulfonic acid

Formula:
C36H58O12S

Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 6 FractionCSP3: 0.92
AlogP: 3.29 Num_rotatable_bonds: 5
MolWt: 714.92 Num_heavy_atoms: 49
TPSA: 200.28 NumAromaticRings: 0

Unique Aglycone
AD54195
Formula: C30H48O7S

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.03 Num_rotatable_bonds: 3
MolWt: 552.77 Num_heavy_atoms: 38
TPSA: 121.13 NumAromaticRings: 0

Sugarmoiety
SD00003

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