Glycoside
GD050429
Name:
NoneFormula:
C12H16O7N2Smiles:
O=[N+]([O-])c1cccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
Nc1cccc([N+](=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.27 | Num_heavy_atoms: | 21 |
| TPSA: | 145.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD25353
Formula: C6H6O2N2
Smiles:
Nc1cccc([N+](=O)[O-])c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.13 | Num_heavy_atoms: | 10 |
| TPSA: | 69.16 | NumAromaticRings: | 1 |
