1.0 2010-04-08 22:07:04 UTC 2019-11-26 03:01:04 UTC FDB006301 3,4-Dihydroxyphenylethanol-4-diglucoside 3,4-dihydroxyphenylethanol-4-diglucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). 3,4-dihydroxyphenylethanol-4-diglucoside can be found in olive, which makes 3,4-dihydroxyphenylethanol-4-diglucoside a potential biomarker for the consumption of this food product. C20H30O13 478.4444 478.168641046 (2S,3R,4S,5S,6R)-2-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol (2S,3R,4S,5S,6R)-2-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol OCCC1=CC(O)=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1 InChI=1S/C20H30O13/c21-4-3-8-1-2-10(9(23)5-8)31-20-18(29)16(27)14(25)12(33-20)7-30-19-17(28)15(26)13(24)11(6-22)32-19/h1-2,5,11-29H,3-4,6-7H2/t11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1 GSBZTKMXIZXGEF-XSVWGIRKSA-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 1-hydroxy-4-unsubstituted benzenoids Acetals Disaccharides Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Secondary alcohols Tyrosols and derivatives 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Disaccharide Hydrocarbon derivative Monocyclic benzene moiety O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Tyrosol derivative logp -1.93 ALOGPS logs -1.35 ALOGPS solubility 2.16e+01 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 9.84 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,3R,4S,5S,6R)-2-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol ChemAxon average_mass 478.4444 ChemAxon mono_mass 478.168641046 ChemAxon smiles OCCC1=CC(O)=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1 ChemAxon formula C20H30O13 ChemAxon inchi InChI=1S/C20H30O13/c21-4-3-8-1-2-10(9(23)5-8)31-20-18(29)16(27)14(25)12(33-20)7-30-19-17(28)15(26)13(24)11(6-22)32-19/h1-2,5,11-29H,3-4,6-7H2/t11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1 ChemAxon inchikey GSBZTKMXIZXGEF-XSVWGIRKSA-N ChemAxon polar_surface_area 218.99 ChemAxon refractivity 106.15 ChemAxon polarizability 45.73 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 67608 Specdb::MsMs 67609 Specdb::MsMs 67610 Specdb::MsMs 125463 Specdb::MsMs 125464 Specdb::MsMs 125465 Specdb::MsMs 3602765 Specdb::MsMs 3602766 Specdb::MsMs 3602767 Specdb::MsMs 3602768 Specdb::MsMs 3602769 Specdb::MsMs 3602770 Olive Type 1 specific Olea europaea 4146