Glycoside
GD020168
Name:
NoneFormula:
C11H14O7N6Smiles:
CONc1nc([N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CONc1nc([N+](=O)[O-])nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.27 | Num_heavy_atoms: | 24 |
| TPSA: | 177.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD13966
Formula: C6H5O3N6
Smiles:
CONc1nc([N+](=O)[O-])nc2c1N=C[N]2| HBA: | 9 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 209.15 | Num_heavy_atoms: | 15 |
| TPSA: | 116.64 | NumAromaticRings: | 1 |
