Glycoside
GD030747
Name:
NoneFormula:
C22H17O4N2F3Cl2SSmiles:
OC[C@@H]1OC(n2c(SCc3cccc(C(F)(F)F)c3)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
FC(F)(F)c1cccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 509.33 | Num_heavy_atoms: | 32 |
| TPSA: | 87.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD19889
Formula: C17H8N2F3Cl2S
Smiles:
FC(F)(F)c1cccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)c1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 6.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 376.21 | Num_heavy_atoms: | 23 |
| TPSA: | 26.46 | NumAromaticRings: | 2 |
