Glycoside
GD042701
Name:
3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}benzoic acidFormula:
C13H17O7NSmiles:
O=C(O)c1cccc(N[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1Aglycone:
Nc1cccc(C(=O)O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 299.28 | Num_heavy_atoms: | 21 |
| TPSA: | 139.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD24863
Formula: C7H7O2N
Smiles:
Nc1cccc(C(=O)O)c1| 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 |
