Glycoside
...
GD149098

Name:
{4,6a,6b,11,11,14b-hexamethyl-4-[(sulfooxy)methyl]-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydropicen-3-yl}oxidanesulfonic acid

Formula:
C36H58O15S2

Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=C2C1)CCC1C2(C)CCC(OS(=O)(=O)O)C(C)(COS(=O)(=O)O)C2CCC13C

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)CCC1C2(C)CCC(OS(=O)(=O)O)C(C)(COS(=O)(=O)O)C2CCC13C

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 6 FractionCSP3: 0.92
AlogP: 3.26 Num_rotatable_bonds: 8
MolWt: 794.98 Num_heavy_atoms: 53
TPSA: 243.65 NumAromaticRings: 0

Unique Aglycone
AD59623
Formula: C30H48O10S2

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)CCC1C2(C)CCC(OS(=O)(=O)O)C(C)(COS(=O)(=O)O)C2CCC13C
HBA: 10 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.0 Num_rotatable_bonds: 6
MolWt: 632.84 Num_heavy_atoms: 42
TPSA: 164.5 NumAromaticRings: 0

Sugarmoiety
SD00003

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