Syringic acid-4-beta-D-glucopyranoside
PubChem CID: 14132338
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| Compound Synonyms | Syringic acid-4-beta-D-glucopyranoside, Syringic acid 4-beta-glucopyranoside, Syringic acid glucoside, Syringic acid glucoside, CHEBI:167538, DTXSID201231452, IBA22865, 1873386-68-5, Benzoic acid, 4-(hexopyranosyloxy)-3,5-dimethoxy-, 3,5-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid |
|---|---|
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | BLKMDORKRDACEI-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | Benzoic acid, 4-(beta-D-glucopyranosyloxy)-3,5-dimethoxy-, Gluco-syringic acid, Glucosyringic acid, Syringin 4-O-beta-glucoside |
| Heavy Atom Count | 25.0 |
| Compound Name | Syringic acid-4-beta-D-glucopyranoside |
| Description | Glucosyringic acid, also known as glucosyringate, is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Glucosyringic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Glucosyringic acid can be found in fennel, which makes glucosyringic acid a potential biomarker for the consumption of this food product. |
| Exact Mass | 360.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.106 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 360.31 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H20O10/c1-22-7-3-6(14(20)21)4-8(23-2)13(7)25-15-12(19)11(18)10(17)9(5-16)24-15/h3-4,9-12,15-19H,5H2,1-2H3,(H,20,21) |
| Smiles | COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C(=O)O |
| Xlogp | -1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H20O10 |
- 1. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all