Glycoside
...
GD130692

Name:
7Î’-Hydroxyl-18Î’-Glycyrrhetinic Acid-3-O-Î’-D-6'-O-Acetyl-Glucoside

Formula:
C38H58O11

Smiles:
CC(=O)OCC1OC(OC2CCC3(C)C(CC(O)C4(C)C3C(=O)C=C3C5CC(C)(C(=O)O)CCC5(C)CCC34C)C2(C)C)C(O)C(O)C1O

Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CC(O)C43C)C2C1.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 5 FractionCSP3: 0.87
AlogP: 3.78 Num_rotatable_bonds: 5
MolWt: 690.87 Num_heavy_atoms: 49
TPSA: 180.05 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD19605
Formula: C30H46O5

Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CC(O)C43C)C2C1
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.38 Num_rotatable_bonds: 1
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O