2,3-Bis[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]propyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
PubChem CID: 78384987
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| Topological Polar Surface Area | 195.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | FEUWBELGELLWPV-UHFFFAOYSA-N |
| Rotatable Bond Count | 20.0 |
| Heavy Atom Count | 51.0 |
| Compound Name | 2,3-Bis[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]propyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate |
| Description | Glycerol sinapate, also known as glycerol sinapic acid, is a member of the class of compounds known as triacylglycerols. Triacylglycerols are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Glycerol sinapate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Glycerol sinapate can be found in radish, which makes glycerol sinapate a potential biomarker for the consumption of this food product. |
| Exact Mass | 710.221 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 710.221 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1070.0 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 710.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-bis[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]propyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Inchi | InChI=1S/C36H38O15/c1-43-25-13-21(14-26(44-2)34(25)40)7-10-31(37)49-19-24(51-33(39)12-9-23-17-29(47-5)36(42)30(18-23)48-6)20-50-32(38)11-8-22-15-27(45-3)35(41)28(16-22)46-4/h7-18,24,40-42H,19-20H2,1-6H3 |
| Smiles | COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC(COC(=O)C=CC2=CC(=C(C(=C2)OC)O)OC)OC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC |
| Xlogp | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C36H38O15 |
- 1. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all