Glycoside
GD037909
Name:
4-{[3-chloro-4-(alpha-d-mannopyranosyloxy)phenyl]carbamoyl}benzoic acidFormula:
C21H20O9NClSmiles:
O=C(O)c1ccc(C(=O)Nc2ccc(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)cc1Aglycone:
O=C(O)c1ccc(C(=O)Nc2ccc(O)c(Cl)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 453.83 | Num_heavy_atoms: | 31 |
| TPSA: | 165.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD23776
Formula: C15H10O4NCl
Smiles:
O=C(O)c1ccc(C(=O)Nc2ccc(O)c(Cl)c2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 291.69 | Num_heavy_atoms: | 20 |
| TPSA: | 86.63 | NumAromaticRings: | 2 |
