Glycoside
GD114742
Name:
Cholic Acid 24-O-(Beta-D-Glucuronide)Formula:
C30H48O11Smiles:
CC(CCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12CAglycone:
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 584.7 | Num_heavy_atoms: | 41 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD22043
Formula: C24H40O5
Smiles:
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.58 | Num_heavy_atoms: | 29 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
