Glycoside
GD012587
Name:
NoneFormula:
C12H13O9N2FSmiles:
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2F)c([N+](=O)[O-])c1Aglycone:
O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(F)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.24 | Num_heavy_atoms: | 24 |
| TPSA: | 165.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD09479
Formula: C6H4O5N2
Smiles:
O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.11 | Num_heavy_atoms: | 13 |
| TPSA: | 106.51 | NumAromaticRings: | 1 |
