Glycoside
GD069758
Name:
NoneFormula:
C13H17O9N3Smiles:
CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1OAglycone:
Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 359.29 | Num_heavy_atoms: | 25 |
| TPSA: | 177.46 | 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 |
