Glycoside
GD045549
Name:
4-[(3,4,5-trihydroxyoxan-2-yl)amino]benzoic acidFormula:
C12H15O6NSmiles:
O=C(O)c1ccc(N[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
Nc1ccc(C(=O)O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 269.25 | Num_heavy_atoms: | 19 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD04803
Formula: C7H7O2N
Smiles:
Nc1ccc(C(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 63.32 | NumAromaticRings: | 1 |
