Glycoside
GD009073
Name:
NoneFormula:
C16H15O5N2F3SSmiles:
O=C(Nc1cccc(C(F)(F)F)c1)c1csc([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)n1Aglycone:
O=C(Nc1cccc(C(F)(F)F)c1)c1cscn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.37 | Num_heavy_atoms: | 27 |
| TPSA: | 111.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD07158
Formula: C11H7ON2F3S
Smiles:
O=C(Nc1cccc(C(F)(F)F)c1)c1cscn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 272.25 | Num_heavy_atoms: | 18 |
| TPSA: | 41.99 | NumAromaticRings: | 2 |
