1.0 2010-04-08 22:15:00 UTC 2019-11-26 03:18:54 UTC FDB020414 3'-(6''-Galloylglucosyl)-phloroacetophenone Constituent of Syzygium aromaticum (clove). 3'-(6''-Galloylglucosyl)-phloroacetophenone is found in herbs and spices. 3'-(6''-Galloylglucosyl)-phloroacetophenone C21H22O13 482.3916 482.10604079 [6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate 152041-19-5 CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C(O)C=C1O InChI=1S/C21H22O13/c1-6(22)13-8(23)4-9(24)14(17(13)29)20-19(31)18(30)16(28)12(34-20)5-33-21(32)7-2-10(25)15(27)11(26)3-7/h2-4,12,16,18-20,23-31H,5H2,1H3 OSPSKZAEYSNSGH-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 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetophenones Acylphloroglucinols and derivatives Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives C-glycosyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Galloyl esters Hydrocarbon derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Pyrogallols and derivatives Secondary alcohols Vinylogous acids m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1,2-diol 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetophenone Acylphloroglucinol derivative Alcohol Alkyl-phenylketone Aromatic heteromonocyclic compound Aryl alkyl ketone Aryl ketone Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl C-glycosyl compound Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Ketone M-hydroxybenzoic acid ester Monocyclic benzene moiety Monosaccharide Organic oxide Organoheterocyclic compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenolic glycoside Phenylketone Phloroglucinol derivative Polyol Pyrogallol derivative Secondary alcohol Vinylogous acid logp 0.50 ALOGPS logs -2.23 ALOGPS solubility 2.82e+00 g/l ALOGPS logp 0.75 ChemAxon pka_strongest_acidic 7.47 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 482.3916 ChemAxon mono_mass 482.10604079 ChemAxon smiles CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C(O)C=C1O ChemAxon formula C21H22O13 ChemAxon inchi InChI=1S/C21H22O13/c1-6(22)13-8(23)4-9(24)14(17(13)29)20-19(31)18(30)16(28)12(34-20)5-33-21(32)7-2-10(25)15(27)11(26)3-7/h2-4,12,16,18-20,23-31H,5H2,1H3 ChemAxon inchikey OSPSKZAEYSNSGH-UHFFFAOYSA-N ChemAxon polar_surface_area 234.67 ChemAxon refractivity 111.29 ChemAxon polarizability 45.02 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20955 Specdb::CMs 46870 Specdb::CMs 152963 Specdb::CMs 162694 Specdb::CMs 162696 Specdb::CMs 162699 Specdb::CMs 162700 Specdb::CMs 162703 Specdb::CMs 162705 Specdb::CMs 280429 Specdb::MsMs 312658 Specdb::MsMs 312659 Specdb::MsMs 312660 Specdb::MsMs 357967 Specdb::MsMs 357968 Specdb::MsMs 357969 Specdb::MsMs 2719749 Specdb::MsMs 2719750 Specdb::MsMs 2719751 Specdb::MsMs 2958822 Specdb::MsMs 2958823 Specdb::MsMs 2958824 HMDB40623 #<Reference:0x000055ce317c6fa0> Herbs and Spices Unknown generic