Glycoside
GD032751
Name:
NoneFormula:
C18H17O5N4F3SSmiles:
OC[C@@H]1O[C@H](n2cnc3c(SCc4ccc(OC(F)(F)F)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
FC(F)(F)Oc1ccc(CSc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.42 | Num_heavy_atoms: | 31 |
| TPSA: | 122.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD20964
Formula: C13H8ON4F3S
Smiles:
FC(F)(F)Oc1ccc(CSc2ncnc3c2N=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 325.3 | Num_heavy_atoms: | 22 |
| TPSA: | 61.47 | NumAromaticRings: | 2 |
