Glycoside
GD098603
Name:
NoneFormula:
C13H15O7NF3SBrSmiles:
O=S(=O)(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(Br)cc(C(F)(F)F)c1Aglycone:
NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.23 | Num_heavy_atoms: | 26 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD41935
Formula: C7H5O2NF3SBr
Smiles:
NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.09 | Num_heavy_atoms: | 15 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
