Glycoside
GD025789
Name:
NoneFormula:
C18H17O4N4ClSmiles:
Nc1ncnn2c([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc(-c3ccccc3Cl)c12Aglycone:
Nc1ncnn2ccc(-c3ccccc3Cl)c12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.8 | Num_heavy_atoms: | 26 |
| TPSA: | 126.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD17065
Formula: C13H9N4Cl
Smiles:
Nc1ncnn2ccc(-c3ccccc3Cl)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.69 | Num_heavy_atoms: | 17 |
| TPSA: | 56.21 | NumAromaticRings: | 3 |
