Glycoside
GD020341
Name:
NoneFormula:
C12H14O6N4Smiles:
Nc1ccnc2c1c([N+](=O)[O-])cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ccnc2c1C([N+](=O)[O-])=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.27 | Num_heavy_atoms: | 22 |
| TPSA: | 156.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD14055
Formula: C7H5O2N4
Smiles:
Nc1ccnc2c1C([N+](=O)[O-])=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.14 | Num_heavy_atoms: | 13 |
| TPSA: | 96.15 | NumAromaticRings: | 1 |
