Glycoside
GD012121
Name:
NoneFormula:
C9H12O7N4Smiles:
NC(=O)c1nn(C2O[C@H](CO)[C@H](O)[C@H]2O)cc1[N+](=O)[O-]Aglycone:
NC(=O)C1=N[N]C=C1[N+](=O)[O-]Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.22 | Num_heavy_atoms: | 20 |
| TPSA: | 173.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD09156
Formula: C4H3O3N4
Smiles:
NC(=O)C1=N[N]C=C1[N+](=O)[O-]| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.09 | Num_heavy_atoms: | 11 |
| TPSA: | 112.69 | NumAromaticRings: | 0 |
