Syringin
Representations & DB's id
| ||
| ChEBI: | CHEBI:9380 | |
|---|---|---|
| ChEMBL: | CHEMBL250872 | |
| PubChem: | 5316860 | |
| IUPAC: | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1 | |
| Standard InChI Key: | QJVXKWHHAMZTBY-GCPOEHJPSA-N | |
| SMILES: | OC/C=C/c1cc(OC)c(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O | |
Molecular propeties
| ||
| AlogP: | -1.11 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 372.14 | |
| Topological polar surface area: | 138 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.529 | |
| Number of carbons: | 17 | |