1.02010-04-08 22:04:28 UTC2020-02-24 19:10:06 UTCFDB000173Quercetin 3,4',7-triglucosideConstituent of Allium cepa (red onion)and is also obtained from Vitis hybrid cell cultures [CCD]. Quercetin 3,4',7-triglucoside is found in garden onion.Quercetin 3,4',7-triglucosideQuercetin 3,7,4'-O-triglucosideC33H40O22788.6575788.2011229645-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one5-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-4-one133563-23-2OCC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(OC2OC(CO)C(O)C(O)C2O)=C(O3)C2=CC(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C(O)C1OInChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-10-4-12(38)18-14(5-10)50-29(30(22(18)42)55-33-28(48)25(45)21(41)17(8-36)54-33)9-1-2-13(11(37)3-9)51-32-27(47)24(44)20(40)16(7-35)53-32/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2JWSWVKOHVSHWQA-UHFFFAOYSA-Nlogp-1.21logs-1.86solubility1.10e+01 g/llogp-4.7pka_strongest_acidic8.26pka_strongest_basic-3.7iupac5-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-oneaverage_mass788.6575mono_mass788.201122964smilesOCC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(OC2OC(CO)C(O)C(O)C2O)=C(O3)C2=CC(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C(O)C1OformulaC33H40O22inchiInChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-10-4-12(38)18-14(5-10)50-29(30(22(18)42)55-33-28(48)25(45)21(41)17(8-36)54-33)9-1-2-13(11(37)3-9)51-32-27(47)24(44)20(40)16(7-35)53-32/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2inchikeyJWSWVKOHVSHWQA-UHFFFAOYSA-Npolar_surface_area364.9refractivity173.56polarizability74.36rotatable_bond_count10acceptor_count22donor_count14physiological_charge0formal_charge0Specdb::CMs786682Specdb::CMs786683Specdb::CMs786684Specdb::CMs786685Specdb::CMs786686Specdb::CMs786687Specdb::CMs786688Specdb::CMs786689Specdb::CMs786690Specdb::CMs786691Specdb::CMs786692Specdb::CMs786693Specdb::CMs786694Specdb::CMs786695Specdb::MsMs48090Specdb::MsMs48091Specdb::MsMs48092Specdb::MsMs146898Specdb::MsMs146899Specdb::MsMs146900Specdb::MsMs2357142Specdb::MsMs2357143Specdb::MsMs2357144Specdb::MsMs2608458Specdb::MsMs2608459Specdb::MsMs2608460Specdb::NmrOneD157450Specdb::NmrOneD157451Specdb::NmrOneD157452Specdb::NmrOneD157453Specdb::NmrOneD157454Specdb::NmrOneD157455Specdb::NmrOneD157456Specdb::NmrOneD157457Specdb::NmrOneD157458Specdb::NmrOneD157459Specdb::NmrOneD157460Specdb::NmrOneD157461Specdb::NmrOneD157462Specdb::NmrOneD157463Specdb::NmrOneD157464Specdb::NmrOneD157465Specdb::NmrOneD157466Specdb::NmrOneD157467Specdb::NmrOneD157468Specdb::NmrOneD157469HMDB29262Garden onionType 1specificAllium cepa4679