Glycoside
GD108167
Name:
Chenodeoxycholic Acid 24-O-(Beta-D-Glucuronide)Formula:
C30H48O10Smiles:
C[C@H](CCC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3OAglycone:
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 568.7 | Num_heavy_atoms: | 40 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00967
Formula: C24H40O4
Smiles:
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.58 | Num_heavy_atoms: | 28 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
