Glycoside
GD024435
Name:
NoneFormula:
C19H16O4N4Cl2Smiles:
Nc1ncnc2c1c(-c1cc(Cl)cc(Cl)c1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(c1cc(Cl)cc(Cl)c1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 411.25 | Num_heavy_atoms: | 27 |
| TPSA: | 126.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD16307
Formula: C14H7N4Cl2
Smiles:
Nc1ncnc2c1C(c1cc(Cl)cc(Cl)c1)=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.12 | Num_heavy_atoms: | 18 |
| TPSA: | 65.9 | NumAromaticRings: | 2 |
