Glycoside
GD100709
Name:
NoneFormula:
C18H18O7NF3S2Smiles:
O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1cc(F)cc(F)c1FAglycone:
O=S(=O)(Nc1ccc(S)cc1)c1cc(F)cc(F)c1FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 481.47 | Num_heavy_atoms: | 31 |
| TPSA: | 136.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD42525
Formula: C12H8O2NF3S2
Smiles:
O=S(=O)(Nc1ccc(S)cc1)c1cc(F)cc(F)c1F| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 319.33 | Num_heavy_atoms: | 20 |
| TPSA: | 46.17 | NumAromaticRings: | 2 |
