Glycoside
GD039400
Name:
2'-{[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acidFormula:
C21H22O10N2Smiles:
CC(=O)N[C@H]1[C@H](Oc2ccccc2-c2cc(C(=O)O)cc([N+](=O)[O-])c2)O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
O=C(O)c1cc(-c2ccccc2O)cc([N+](=O)[O-])c1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 188.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD09440
Formula: C13H9O5N
Smiles:
O=C(O)c1cc(-c2ccccc2O)cc([N+](=O)[O-])c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 259.22 | Num_heavy_atoms: | 19 |
| TPSA: | 100.67 | NumAromaticRings: | 2 |
