Showing Metabocard for 1-O-[(E)-feruloyl]-beta-D-glucose (BASm0006744)
| Common Name | 1-o-[(e)-feruloyl]-beta-d-glucose |
|---|---|
| Description | 1-O-Feruloylglucose is found in green vegetables. 1-O-Feruloylglucose is present in Solanum, Raphanus, etc. species. |
| Structure | |
| Molecular Formula | C16H20O9 |
| Average Mass | 356.32460 |
| Monoisotopic Mass | 356.11073 |
| IUPAC Name | 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Traditional Name | 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| CAS Registry Number | 7196-71-6 |
| SMILES | COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |
| InChI Identifier | InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+ |
| InChI Key | JWRQVQWBNRGGPK-HWKANZROSA-N |
| CHEBI ID | CHEBI:81321 |
| HMDB ID | HMDB0036938 |
| State | Not Available |
| Water Solubility | 5.97e+00 g/l |
| logP | -0.44 |
| logS | -1.78 |
| pKa (Strongest Acidic) | 9.87 |
| pKa (Strongest Basic) | -2.98 |
| Hydrogen Acceptor Count | 8 |
| Hydrogen Donor Count | 5 |
| Polar Surface Area | 145.91 Ų |
| Rotatable Bond Count | 6 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 83.94 m³·mol⁻¹ |
| Polarizability | 35.25 |