Glycoside
GD058100
Name:
NoneFormula:
C12H15O9N3Smiles:
O=[N+]([O-])c1ccc(N[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1Aglycone:
Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 345.26 | Num_heavy_atoms: | 24 |
| TPSA: | 188.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD29102
Formula: C6H5O4N3
Smiles:
Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 183.12 | Num_heavy_atoms: | 13 |
| TPSA: | 112.3 | NumAromaticRings: | 1 |
