Glycoside
GD032319
Name:
NoneFormula:
C18H17O4N4F3SSmiles:
OC[C@@H]1O[C@H](n2cnc3c(SCc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
FC(F)(F)c1cccc(CSc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.42 | Num_heavy_atoms: | 30 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD20737
Formula: C13H8N4F3S
Smiles:
FC(F)(F)c1cccc(CSc2ncnc3c2N=C[N]3)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.3 | Num_heavy_atoms: | 21 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
