Glycoside
GD077806
Name:
NoneFormula:
C13H15O4N4F3SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(SCCC(F)(F)F)ncnc32)[C@H](O)[C@@H]1OAglycone:
FC(F)(F)CCSc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 380.35 | Num_heavy_atoms: | 25 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD35635
Formula: C8H6N4F3S
Smiles:
FC(F)(F)CCSc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 247.23 | Num_heavy_atoms: | 16 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
