1.0 2010-04-08 22:11:06 UTC 2019-11-26 03:09:35 UTC FDB014147 Myricetin 3-(6''-acetylgalactoside) Constituent of the flowers of Trifolium repens (white clover). Myricetin 3-(6''-acetylgalactoside) is found in many foods, some of which are herbs and spices, pulses, tea, and green vegetables. Myricetin 3-(6-acetylgalactoside) Myricetin 3-(6''-acetylgalactoside) C23H22O14 522.4124 522.100955412 (6-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate (6-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate 529-44-2 CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O InChI=1S/C23H22O14/c1-7(24)34-6-14-17(30)19(32)20(33)23(36-14)37-22-18(31)15-10(26)4-9(25)5-13(15)35-21(22)8-2-11(27)16(29)12(28)3-8/h2-5,14,17,19-20,23,25-30,32-33H,6H2,1H3 SVRJGKAZQHHOSZ-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Pyrogallols and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Pyran Pyranone Pyrogallol derivative Secondary alcohol Vinylogous acid logp 1.21 ALOGPS logs -2.40 ALOGPS solubility 2.10e+00 g/l ALOGPS logp -0.0073 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (6-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate ChemAxon average_mass 522.4124 ChemAxon mono_mass 522.100955412 ChemAxon smiles CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O ChemAxon formula C23H22O14 ChemAxon inchi InChI=1S/C23H22O14/c1-7(24)34-6-14-17(30)19(32)20(33)23(36-14)37-22-18(31)15-10(26)4-9(25)5-13(15)35-21(22)8-2-11(27)16(29)12(28)3-8/h2-5,14,17,19-20,23,25-30,32-33H,6H2,1H3 ChemAxon inchikey SVRJGKAZQHHOSZ-UHFFFAOYSA-N ChemAxon polar_surface_area 232.9 ChemAxon refractivity 120.41 ChemAxon polarizability 48.5 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17499 Specdb::CMs 44397 Specdb::MsMs 58656 Specdb::MsMs 58657 Specdb::MsMs 58658 Specdb::MsMs 114639 Specdb::MsMs 114640 Specdb::MsMs 114641 Specdb::MsMs 2750380 Specdb::MsMs 2750381 Specdb::MsMs 2750382 Specdb::MsMs 2927686 Specdb::MsMs 2927687 Specdb::MsMs 2927688 Specdb::NmrOneD 131698 Specdb::NmrOneD 131699 Specdb::NmrOneD 131700 Specdb::NmrOneD 131701 Specdb::NmrOneD 131702 Specdb::NmrOneD 131703 Specdb::NmrOneD 131704 Specdb::NmrOneD 131705 Specdb::NmrOneD 131706 Specdb::NmrOneD 131707 Specdb::NmrOneD 131708 Specdb::NmrOneD 131709 Specdb::NmrOneD 131710 Specdb::NmrOneD 131711 Specdb::NmrOneD 131712 Specdb::NmrOneD 131713 Specdb::NmrOneD 131714 Specdb::NmrOneD 131715 Specdb::NmrOneD 131716 Specdb::NmrOneD 131717 HMDB35462 #<Reference:0x000055ce328be308> Black tea Type 1 Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Herbs and Spices Unknown generic Pulses Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442