Glycoside
GD120245
Name:
6-{2-[5-bromo-2-(4-fluorophenyl)thiophen-3-yl]-5-methanesulfonylphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C23H20O9FS2BrSmiles:
CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1Aglycone:
CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)c(O)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 603.44 | Num_heavy_atoms: | 36 |
| TPSA: | 150.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD48279
Formula: C17H12O3FS2Br
Smiles:
CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)c(O)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 427.32 | Num_heavy_atoms: | 24 |
| TPSA: | 54.37 | NumAromaticRings: | 3 |
