1.0 2010-04-08 22:12:24 UTC 2025-11-19 01:46:45 UTC FDB016392 Quercetin 3,4'-diglucoside Isolated from Allium cepa (yellow onion) and other plant subspecies [CCD]. Quercetin 3,4'-diglucoside is found in many foods, some of which are garden onion, shallot, onion-family vegetables, and grape. Quercetin 3,4'-diglucoside Quercetin 3,4'-O-diglucoside C27H30O17 626.5169 626.148299534 5,7-dihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 5,7-dihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 29125-80-2 OCC1OC(OC2=C(O)C=C(C=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2 RPVIQWDFJPYNJM-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 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Chromones Flavones 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 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Flavone Flavonoid-3-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 -0.80 ALOGPS logs -2.13 ALOGPS solubility 4.59e+00 g/l ALOGPS melting_point Mp 249-251° (223-226°) logp -2.4 ChemAxon pka_strongest_acidic 6.44 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 626.5169 ChemAxon mono_mass 626.148299534 ChemAxon smiles OCC1OC(OC2=C(O)C=C(C=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O ChemAxon formula C27H30O17 ChemAxon inchi InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2 ChemAxon inchikey RPVIQWDFJPYNJM-UHFFFAOYSA-N ChemAxon polar_surface_area 285.75 ChemAxon refractivity 141.42 ChemAxon polarizability 59.29 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 17 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 140330 Specdb::NmrOneD 140331 Specdb::NmrOneD 140332 Specdb::NmrOneD 140333 Specdb::NmrOneD 140334 Specdb::NmrOneD 140335 Specdb::NmrOneD 140336 Specdb::NmrOneD 140337 Specdb::NmrOneD 140338 Specdb::NmrOneD 140339 Specdb::NmrOneD 140340 Specdb::NmrOneD 140341 Specdb::NmrOneD 140342 Specdb::NmrOneD 140343 Specdb::NmrOneD 140344 Specdb::NmrOneD 140345 Specdb::NmrOneD 140346 Specdb::NmrOneD 140347 Specdb::NmrOneD 140348 Specdb::NmrOneD 140349 Specdb::CMs 23023 Specdb::CMs 566984 Specdb::CMs 566985 Specdb::CMs 566986 Specdb::CMs 566987 Specdb::CMs 566988 Specdb::CMs 566989 Specdb::CMs 566990 Specdb::CMs 566991 Specdb::CMs 566992 Specdb::CMs 566993 Specdb::CMs 566994 Specdb::CMs 566995 Specdb::CMs 566996 Specdb::CMs 566997 Specdb::CMs 566998 Specdb::CMs 566999 Specdb::CMs 567000 Specdb::CMs 567001 Specdb::CMs 567002 Specdb::CMs 567003 Specdb::CMs 567004 Specdb::CMs 567005 Specdb::CMs 567006 Specdb::CMs 567007 Specdb::MsMs 82917 Specdb::MsMs 82918 Specdb::MsMs 82919 Specdb::MsMs 144405 Specdb::MsMs 144406 Specdb::MsMs 144407 Specdb::MsMs 2229681 Specdb::MsMs 2229789 Specdb::MsMs 2252961 Specdb::MsMs 2253121 Specdb::MsMs 2253326 Specdb::MsMs 2253527 Specdb::MsMs 2254995 Specdb::MsMs 2255213 Specdb::MsMs 2255369 Specdb::MsMs 2255568 Specdb::MsMs 2256934 Specdb::MsMs 2257263 Specdb::MsMs 2257306 Specdb::MsMs 2259246 Specdb::MsMs 2259332 Specdb::MsMs 2750983 Specdb::MsMs 2750984 Specdb::MsMs 2750985 Specdb::MsMs 2928313 HMDB37363 #<Reference:0x000055ce3198ce20> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 46.806039 101.261258698 3.125 mg/100 g Grape Type 1 specific Vitis 3603 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Shallot Type 1 specific Allium ascalonicum 1476995 74.622513 74.622512817 74.622512817 mg/100 g Welsh onion Type 1 specific Allium fistulosum 35875