Glycoside
GD037213
Name:
NoneFormula:
C16H16O6N6Smiles:
Nc1ncnc2c1c(-c1ccc([N+](=O)[O-])cc1)nn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(c1ccc([N+](=O)[O-])cc1)=N[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.34 | Num_heavy_atoms: | 28 |
| TPSA: | 182.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD23457
Formula: C11H7O2N6
Smiles:
Nc1ncnc2c1C(c1ccc([N+](=O)[O-])cc1)=N[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 255.22 | Num_heavy_atoms: | 19 |
| TPSA: | 121.4 | NumAromaticRings: | 2 |
