Glycoside
GD092278
Name:
NoneFormula:
C17H18O6N8Smiles:
Nc1ncnc2c1nc(N/N=C/c1ccc([N+](=O)[O-])cc1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C(NN=Cc1ccc([N+](=O)[O-])cc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.38 | Num_heavy_atoms: | 31 |
| TPSA: | 207.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD40259
Formula: C12H9O2N8
Smiles:
Nc1ncnc2c1N=C(NN=Cc1ccc([N+](=O)[O-])cc1)[N]2| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 297.26 | Num_heavy_atoms: | 22 |
| TPSA: | 145.79 | NumAromaticRings: | 2 |
