Glycoside
GD008089
Name:
NoneFormula:
C19H18O5N3F3SSmiles:
OC[C@@H]1O[C@H](n2ccc3c(SCc4ccc(OC(F)(F)F)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
FC(F)(F)Oc1ccc(CSc2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.43 | Num_heavy_atoms: | 31 |
| TPSA: | 109.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD06508
Formula: C14H9ON3F3S
Smiles:
FC(F)(F)Oc1ccc(CSc2ncnc3c2C=C[N]3)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 324.31 | Num_heavy_atoms: | 22 |
| TPSA: | 49.11 | NumAromaticRings: | 2 |
