Glycoside
GD000839
Name:
NoneFormula:
C18H19O4N6ClSmiles:
Nc1nc(NCc2cccc(Cl)c2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(NCc2cccc(Cl)c2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.83 | Num_heavy_atoms: | 28 |
| TPSA: | 151.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD00876
Formula: C13H10N6Cl
Smiles:
Nc1nc(NCc2cccc(Cl)c2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 273.71 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
