1.0 2016-01-27 18:19:51 UTC 2018-01-25 19:56:18 UTC FDB031323 Hydroxytyrosol 3-O-beta-D-glucuronide Hydroxytyrosol 3-o-beta-d-glucuronide is soluble (in water) and a weakly acidic compound (based on its pKa). C14H18O9 330.289 330.09508216 (3S,4S,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid (3S,4S,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid OCCC1=CC(O[C@@H]2OC([C@@H](O)[C@H](O)C2O)C(O)=O)=C(O)C=C1 InChI=1S/C14H18O9/c15-4-3-6-1-2-7(16)8(5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14-19H,3-4H2,(H,20,21)/t9-,10-,11?,12?,14+/m0/s1 CPHMFZSEPDNJAZ-JCCXBDGPSA-N belongs to the class of organic compounds known as phenolic glycosides. These 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. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Pyrans Secondary alcohols Tyrosols 1-hydroxy-2-unsubstituted benzenoid 1-o-glucuronide Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glucuronic acid or derivatives Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Secondary alcohol Tyrosol Tyrosol derivative logp -0.82 ALOGPS logs -1.29 ALOGPS solubility 1.70e+01 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 3.17 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac (3S,4S,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid ChemAxon average_mass 330.289 ChemAxon mono_mass 330.09508216 ChemAxon smiles OCCC1=CC(O[C@@H]2OC([C@@H](O)[C@H](O)C2O)C(O)=O)=C(O)C=C1 ChemAxon formula C14H18O9 ChemAxon inchi InChI=1S/C14H18O9/c15-4-3-6-1-2-7(16)8(5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14-19H,3-4H2,(H,20,21)/t9-,10-,11?,12?,14+/m0/s1 ChemAxon inchikey CPHMFZSEPDNJAZ-JCCXBDGPSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 73.6 ChemAxon polarizability 30.72 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1235425 Specdb::MsMs 1235426 Specdb::MsMs 1235427 Specdb::MsMs 1350901 Specdb::MsMs 1350902 Specdb::MsMs 1350903