Glycoside
GD150894
Name:
7Î’-Hydroxyl-18Î’-Glycyrrhetinic Acid-3-O-Î’-D-GlucosideFormula:
C36H56O10Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CC(O)C43C)C2C1Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CC(O)C43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 648.83 | Num_heavy_atoms: | 46 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
