Glycoside
GD001413
Name:
NoneFormula:
C18H20O6N6Smiles:
Nc1nc(CCc2ccc([N+](=O)[O-])cc2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(CCc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.39 | Num_heavy_atoms: | 30 |
| TPSA: | 182.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD01422
Formula: C13H11O2N6
Smiles:
Nc1nc(CCc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 283.27 | Num_heavy_atoms: | 21 |
| TPSA: | 121.4 | NumAromaticRings: | 2 |
