4'-O-Glucopyranosylsinapic acid
PubChem CID: 6121909
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| Compound Synonyms | 4'-O-Glucopyranosylsinapic acid |
|---|---|
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | KKLWTTVTWMTNBP-ONEGZZNKSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | 4'-O-Glucopyranosylsinapic acid, trans-p-Sinapoyl beta-D-glucopyranoside |
| Heavy Atom Count | 27.0 |
| Compound Name | 4'-O-Glucopyranosylsinapic acid |
| Description | 4'-o-glucopyranosylsinapic acid is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 4'-o-glucopyranosylsinapic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4'-o-glucopyranosylsinapic acid can be found in a number of food items such as green bell pepper, red bell pepper, italian sweet red pepper, and yellow bell pepper, which makes 4'-o-glucopyranosylsinapic acid a potential biomarker for the consumption of these food products. |
| Exact Mass | 386.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.121 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 498.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 386.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-[3,5-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+ |
| Smiles | COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)/C=C/C(=O)O |
| Xlogp | -1.1 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C17H22O10 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all