1.0 2010-04-08 22:11:42 UTC 2019-11-26 03:11:17 UTC FDB015203 4'-Hydroxyacetophenone 4'-[4-hydroxybenzoyl-(->5)-apiosyl-(1->2)-glucoside] Constituent of Thymus vulgaris (thyme). 4'-Hydroxyacetophenone 4'-[4-hydroxybenzoyl-(->5)-apiosyl-(1->2)-glucoside] is found in herbs and spices. 4'-Hydroxyacetophenone 4'-[4-hydroxybenzoyl-(->5)-apiosyl-(1->2)-glucoside] Piceoside 2'-(3''-p-hydroxybenzoyl-apioside) C26H30O13 550.5086 550.168641046 (5-{[2-(4-acetylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 4-hydroxybenzoate (5-{[2-(4-acetylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 4-hydroxybenzoate 228405-07-0 CC(=O)C1=CC=C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(COC(=O)C3=CC=C(O)C=C3)C2O)C=C1 InChI=1S/C26H30O13/c1-13(28)14-4-8-17(9-5-14)37-24-21(20(31)19(30)18(10-27)38-24)39-25-22(32)26(34,12-36-25)11-35-23(33)15-2-6-16(29)7-3-15/h2-9,18-22,24-25,27,29-32,34H,10-12H2,1H3 MQJMZJDOAGOKBY-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 Acetals Acetophenones Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Carboxylic acid esters Disaccharides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid Acetal Acetophenone Alcohol Alkyl-phenylketone Aromatic heteromonocyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Disaccharide Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety 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 Phenylketone Primary alcohol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 0.26 ALOGPS logs -2.73 ALOGPS solubility 1.03e+00 g/l ALOGPS logp -0.13 ChemAxon pka_strongest_acidic 8.5 ChemAxon pka_strongest_basic -3 ChemAxon iupac (5-{[2-(4-acetylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 4-hydroxybenzoate ChemAxon average_mass 550.5086 ChemAxon mono_mass 550.168641046 ChemAxon smiles CC(=O)C1=CC=C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(COC(=O)C3=CC=C(O)C=C3)C2O)C=C1 ChemAxon formula C26H30O13 ChemAxon inchi InChI=1S/C26H30O13/c1-13(28)14-4-8-17(9-5-14)37-24-21(20(31)19(30)18(10-27)38-24)39-25-22(32)26(34,12-36-25)11-35-23(33)15-2-6-16(29)7-3-15/h2-9,18-22,24-25,27,29-32,34H,10-12H2,1H3 ChemAxon inchikey MQJMZJDOAGOKBY-UHFFFAOYSA-N ChemAxon polar_surface_area 201.67 ChemAxon refractivity 129.06 ChemAxon polarizability 54.9 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 56853 Specdb::MsMs 56854 Specdb::MsMs 56855 Specdb::MsMs 112383 Specdb::MsMs 112384 Specdb::MsMs 112385 Specdb::MsMs 2759591 Specdb::MsMs 2759592 Specdb::MsMs 2759593 Specdb::MsMs 2950002 Specdb::MsMs 2950003 Specdb::MsMs 2950004 Specdb::CMs 17043 Specdb::CMs 44820 Specdb::CMs 281720 Specdb::CMs 325688 Specdb::CMs 325689 Specdb::CMs 325690 Specdb::CMs 325691 Specdb::CMs 325692 Specdb::CMs 325693 Specdb::CMs 325694 Specdb::CMs 325695 Specdb::CMs 325696 Specdb::CMs 325697 Specdb::CMs 325698 Specdb::CMs 325699 Specdb::CMs 325700 Specdb::CMs 325701 Specdb::CMs 325702 Specdb::CMs 325703 Specdb::CMs 325704 Specdb::CMs 325705 Specdb::CMs 325706 Specdb::CMs 325707 Specdb::CMs 325708 Specdb::CMs 325709 HMDB36332 #<Reference:0x000055ce330a32d0> Herbs and Spices Unknown generic