Glycoside
GD028355
Name:
NoneFormula:
C18H15O4N3FClSmiles:
OC[C@@H]1O[C@H](n2cc(Cl)c3c(-c4ccc(F)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Fc1ccc(-c2ncnc3c2C(Cl)=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 379.78 | Num_heavy_atoms: | 26 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD18540
Formula: C13H6N3FCl
Smiles:
Fc1ccc(-c2ncnc3c2C(Cl)=C[N]3)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.65 | Num_heavy_atoms: | 17 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
