Glycoside
GD010951
Name:
Lithocholic Acid 3-O-(Beta-D-Glucuronide)Formula:
C30H48O9Smiles:
C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12CAglycone:
CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.71 | Num_heavy_atoms: | 39 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD00901
Formula: C24H40O3
Smiles:
CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.58 | Num_heavy_atoms: | 27 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
