Glycoside
GD020606
Name:
NoneFormula:
C13H16O7NSmiles:
O=C([O-])c1ccc(N[C@@H]2OC(CO)[C@H](O)C(O)[C@H]2O)cc1Aglycone:
Nc1ccc(C(=O)[O-])cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.27 | Num_heavy_atoms: | 21 |
| TPSA: | 142.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD14207
Formula: C7H6O2N
Smiles:
Nc1ccc(C(=O)[O-])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.13 | Num_heavy_atoms: | 10 |
| TPSA: | 66.15 | NumAromaticRings: | 1 |
