Glycoside
GD033936
Name:
NoneFormula:
C18H17O4N3F2SSmiles:
OC[C@@H]1O[C@H](n2ccc3c(SCc4ccc(F)cc4F)ncnc32)[C@H](O)[C@H]1OAglycone:
Fc1ccc(CSc2ncnc3c2C=C[N]3)c(F)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.41 | Num_heavy_atoms: | 28 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD21626
Formula: C13H8N3F2S
Smiles:
Fc1ccc(CSc2ncnc3c2C=C[N]3)c(F)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.29 | Num_heavy_atoms: | 19 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
