Glycoside
GD013649
Name:
NoneFormula:
C18H16O4N4FClSSmiles:
OC[C@@H]1O[C@H](n2cnc3c(SCc4c(F)cccc4Cl)ncnc32)[C@H](O)[C@H]1OAglycone:
Fc1cccc(Cl)c1CSc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.86 | Num_heavy_atoms: | 28 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD10150
Formula: C13H7N4FClS
Smiles:
Fc1cccc(Cl)c1CSc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.73 | Num_heavy_atoms: | 19 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
