Glycoside
GD010082
Name:
NoneFormula:
C19H18O4N3F3SSmiles:
OC[C@@H]1O[C@H](n2ccc3c(SCc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
FC(F)(F)c1cccc(CSc2ncnc3c2C=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 441.43 | Num_heavy_atoms: | 30 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD07831
Formula: C14H9N3F3S
Smiles:
FC(F)(F)c1cccc(CSc2ncnc3c2C=C[N]3)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.31 | Num_heavy_atoms: | 21 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
