Glycoside
GD031248
Name:
NoneFormula:
C19H17O4N3FClSSmiles:
OC[C@@H]1O[C@H](n2ccc3c(SCc4c(F)cccc4Cl)ncnc32)[C@H](O)[C@H]1OAglycone:
Fc1cccc(Cl)c1CSc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 425.87 | Num_heavy_atoms: | 28 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD20146
Formula: C14H8N3FClS
Smiles:
Fc1cccc(Cl)c1CSc1ncnc2c1C=C[N]2| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.75 | Num_heavy_atoms: | 19 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
