Glycoside
GD089414
Name:
NoneFormula:
C18H19O8NF2SSmiles:
O=S(=O)(Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)c1ccc(F)cc1FAglycone:
O=S(=O)(Nc1ccc(O)cc1)c1ccc(F)cc1FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 447.41 | Num_heavy_atoms: | 30 |
| TPSA: | 145.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD39005
Formula: C12H9O3NF2S
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1ccc(F)cc1F| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 285.27 | Num_heavy_atoms: | 19 |
| TPSA: | 66.4 | NumAromaticRings: | 2 |
