1.0 2010-04-08 22:04:28 UTC 2025-11-18 22:16:13 UTC FDB000173 Quercetin 3,4',7-triglucoside Constituent 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-triglucoside Quercetin 3,7,4'-O-triglucoside C33H40O22 788.6575 788.201122964 5-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-one 5-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-one 133563-23-2 OCC1OC(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)C1O InChI=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,6-8H2 JWSWVKOHVSHWQA-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-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 5-hydroxyflavonoids Acetals Chromones Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -1.21 ALOGPS logs -1.86 ALOGPS solubility 1.10e+01 g/l ALOGPS logp -4.7 ChemAxon pka_strongest_acidic 8.26 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 5-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-one ChemAxon average_mass 788.6575 ChemAxon mono_mass 788.201122964 ChemAxon smiles OCC1OC(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)C1O ChemAxon formula C33H40O22 ChemAxon inchi InChI=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,6-8H2 ChemAxon inchikey JWSWVKOHVSHWQA-UHFFFAOYSA-N ChemAxon polar_surface_area 364.9 ChemAxon refractivity 173.56 ChemAxon polarizability 74.36 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 22 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 786682 Specdb::CMs 786683 Specdb::CMs 786684 Specdb::CMs 786685 Specdb::CMs 786686 Specdb::CMs 786687 Specdb::CMs 786688 Specdb::CMs 786689 Specdb::CMs 786690 Specdb::CMs 786691 Specdb::CMs 786692 Specdb::CMs 786693 Specdb::CMs 786694 Specdb::CMs 786695 Specdb::NmrOneD 157450 Specdb::NmrOneD 157451 Specdb::NmrOneD 157452 Specdb::NmrOneD 157453 Specdb::NmrOneD 157454 Specdb::NmrOneD 157455 Specdb::NmrOneD 157456 Specdb::NmrOneD 157457 Specdb::NmrOneD 157458 Specdb::NmrOneD 157459 Specdb::NmrOneD 157460 Specdb::NmrOneD 157461 Specdb::NmrOneD 157462 Specdb::NmrOneD 157463 Specdb::NmrOneD 157464 Specdb::NmrOneD 157465 Specdb::NmrOneD 157466 Specdb::NmrOneD 157467 Specdb::NmrOneD 157468 Specdb::NmrOneD 157469 Specdb::MsMs 48090 Specdb::MsMs 48091 Specdb::MsMs 48092 Specdb::MsMs 146898 Specdb::MsMs 146899 Specdb::MsMs 146900 Specdb::MsMs 2357142 Specdb::MsMs 2357143 Specdb::MsMs 2357144 Specdb::MsMs 2608458 Specdb::MsMs 2608459 Specdb::MsMs 2608460 HMDB29262 Garden onion Type 1 specific Allium cepa 4679