Glycoside
GD030319
Name:
NoneFormula:
C18H14O3N5FCl2Smiles:
O[C@H]1[C@H](O)[C@H](CCl)O[C@@H]1n1cnc2c(Nc3ccc(Cl)cc3F)ncnc21Aglycone:
Fc1cc(Cl)ccc1Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(CCl)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.22 | Num_heavy_atoms: | 27 |
| TPSA: | 105.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD00322
Formula: C12H6N5FCl
Smiles:
Fc1cc(Cl)ccc1Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.66 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
