1.0 2010-04-08 22:13:59 UTC 2019-11-26 03:16:48 UTC FDB018857 3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside) Isolated from commercial rhubarb (Rheum subspecies). 3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside) is found in green vegetables. 3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-b-D-glucopyranoside) C19H20O12 440.3549 440.095476104 [6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate 94356-21-5 OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(O)=CC(O)=C2)C1O InChI=1S/C19H20O12/c20-8-3-9(21)5-10(4-8)30-19-17(27)16(26)15(25)13(31-19)6-29-18(28)7-1-11(22)14(24)12(23)2-7/h1-5,13,15-17,19-27H,6H2 WVHDGXKUZIDTIN-UHFFFAOYSA-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 Benzoyl derivatives Carboxylic acid esters Galloyl esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Pyrogallols and derivatives Resorcinols Secondary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Gallic acid or derivatives Galloyl ester Hydrocarbon derivative M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyrogallol derivative Resorcinol Secondary alcohol logp 0.54 ALOGPS logs -2.33 ALOGPS solubility 2.06e+00 g/l ALOGPS melting_point Mp 168-169° logp 0.38 ChemAxon pka_strongest_acidic 8.07 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 440.3549 ChemAxon mono_mass 440.095476104 ChemAxon smiles OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(O)=CC(O)=C2)C1O ChemAxon formula C19H20O12 ChemAxon inchi InChI=1S/C19H20O12/c20-8-3-9(21)5-10(4-8)30-19-17(27)16(26)15(25)13(31-19)6-29-18(28)7-1-11(22)14(24)12(23)2-7/h1-5,13,15-17,19-27H,6H2 ChemAxon inchikey WVHDGXKUZIDTIN-UHFFFAOYSA-N ChemAxon polar_surface_area 206.6 ChemAxon refractivity 99.91 ChemAxon polarizability 40.8 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62214 Specdb::MsMs 62215 Specdb::MsMs 62216 Specdb::MsMs 118890 Specdb::MsMs 118891 Specdb::MsMs 118892 Specdb::MsMs 2288634 Specdb::MsMs 2288635 Specdb::MsMs 2288636 Specdb::MsMs 2647563 Specdb::MsMs 2647564 Specdb::MsMs 2647565 Specdb::CMs 16100 Specdb::CMs 46352 Specdb::CMs 133828 Specdb::CMs 141562 HMDB39307 #<Reference:0x000055ce32c4d118> Green vegetables Unknown generic