1.0 2010-04-08 22:14:02 UTC 2025-11-19 02:15:51 UTC FDB018943 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloylglucoside] Isolated from commercial rhubarb. 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloylglucoside] is found in green vegetables and garden rhubarb. 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloylglucoside] 4-(4-Hydroxyphenyl)-2-butanone O-[3,4,5-trihydroxybenzoyl-(->2)-b-D-glucopyranoside] 4-(4-Hydroxyphenyl)-2-butanone O-[3,4,5-trihydroxybenzoyl-(->2)-b-D-glucoside] 4-(4-Hydroxyphenyl)-2-butanone O-[galloyl-(->2)-b-D-glucoside] Isolindleyin Rheosmine O-[2-galloylglucoside] C23H26O11 478.4459 478.147511674 4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl 3,4,5-trihydroxybenzoate 4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl 3,4,5-trihydroxybenzoate 87075-18-1 CC(=O)CCC1=CC=C(OC2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1 InChI=1S/C23H26O11/c1-11(25)2-3-12-4-6-14(7-5-12)32-23-21(20(30)19(29)17(10-24)33-23)34-22(31)13-8-15(26)18(28)16(27)9-13/h4-9,17,19-21,23-24,26-30H,2-3,10H2,1H3 KHUVRRVIZOSFTI-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 Ketones Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Pyrogallols and derivatives 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 Carbonyl group Carboxylic acid derivative Carboxylic acid ester Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Ketone 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 Primary alcohol Pyrogallol derivative Secondary alcohol logp 1.30 ALOGPS logs -2.81 ALOGPS solubility 7.46e-01 g/l ALOGPS logp 1.4 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 478.4459 ChemAxon mono_mass 478.147511674 ChemAxon smiles CC(=O)CCC1=CC=C(OC2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1 ChemAxon formula C23H26O11 ChemAxon inchi InChI=1S/C23H26O11/c1-11(25)2-3-12-4-6-14(7-5-12)32-23-21(20(30)19(29)17(10-24)33-23)34-22(31)13-8-15(26)18(28)16(27)9-13/h4-9,17,19-21,23-24,26-30H,2-3,10H2,1H3 ChemAxon inchikey KHUVRRVIZOSFTI-UHFFFAOYSA-N ChemAxon polar_surface_area 183.21 ChemAxon refractivity 115.41 ChemAxon polarizability 48 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16003 Specdb::CMs 46385 Specdb::CMs 162815 Specdb::MsMs 85149 Specdb::MsMs 85150 Specdb::MsMs 85151 Specdb::MsMs 147174 Specdb::MsMs 147175 Specdb::MsMs 147176 Specdb::MsMs 2765537 Specdb::MsMs 2765538 Specdb::MsMs 2765539 Specdb::MsMs 2942869 Specdb::MsMs 2942870 Specdb::MsMs 2942871 HMDB39378 #<Reference:0x00007f093c0a8560> Garden rhubarb Type 1 specific Rheum rhabarbarum 3621 Green vegetables Unknown generic