1.0 2010-04-08 22:12:51 UTC 2025-11-19 01:52:15 UTC FDB017129 Quercetin 3-rutinoside 7-galactoside Isolated from Fagopyrum tataricum (tartary buckwheat). Quercetin 3-rutinoside 7-galactoside is found in tartary buckwheat and cereals and cereal products. Quercetin 3-rutinoside-7-galactoside C33H40O21 772.6581 772.206208342 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one 50867-29-3 CC1OC(OCC2OC(OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3 SPUFXPFDJYNCFD-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 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols Chromones Disaccharides Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Disaccharide Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.83 ALOGPS logs -1.96 ALOGPS solubility 8.44e+00 g/l ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 8.11 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 772.6581 ChemAxon mono_mass 772.206208342 ChemAxon smiles CC1OC(OCC2OC(OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C33H40O21 ChemAxon inchi InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3 ChemAxon inchikey SPUFXPFDJYNCFD-UHFFFAOYSA-N ChemAxon polar_surface_area 344.67 ChemAxon refractivity 172.29 ChemAxon polarizability 73.01 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 21 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 783719 Specdb::CMs 783720 Specdb::CMs 783721 Specdb::CMs 783722 Specdb::CMs 783723 Specdb::CMs 783724 Specdb::CMs 783725 Specdb::CMs 783726 Specdb::CMs 783727 Specdb::CMs 783728 Specdb::CMs 783729 Specdb::CMs 783730 Specdb::CMs 783731 Specdb::CMs 783732 Specdb::CMs 783733 Specdb::CMs 783734 Specdb::CMs 783735 Specdb::CMs 783736 Specdb::CMs 783737 Specdb::CMs 783738 Specdb::CMs 783739 Specdb::CMs 783740 Specdb::CMs 783741 Specdb::CMs 783742 Specdb::CMs 783743 Specdb::MsMs 6929 Specdb::MsMs 6930 Specdb::MsMs 6931 Specdb::MsMs 11657 Specdb::MsMs 11658 Specdb::MsMs 11659 Specdb::MsMs 13601 Specdb::MsMs 13602 Specdb::MsMs 13603 Specdb::MsMs 18329 Specdb::MsMs 18330 Specdb::MsMs 18331 Specdb::MsMs 2226577 Specdb::MsMs 2228126 Specdb::MsMs 2230524 Specdb::MsMs 2437981 Specdb::MsMs 2437982 Specdb::MsMs 2437983 Specdb::MsMs 2528067 Specdb::MsMs 2528068 Specdb::MsMs 2528069 Specdb::NmrOneD 23942 Specdb::NmrOneD 23943 Specdb::NmrOneD 23944 Specdb::NmrOneD 23945 Specdb::NmrOneD 23946 Specdb::NmrOneD 23947 Specdb::NmrOneD 23948 Specdb::NmrOneD 23949 Specdb::NmrOneD 23950 Specdb::NmrOneD 23951 Specdb::NmrOneD 23952 Specdb::NmrOneD 23953 Specdb::NmrOneD 23954 Specdb::NmrOneD 23955 Specdb::NmrOneD 23956 Specdb::NmrOneD 23957 Specdb::NmrOneD 23958 Specdb::NmrOneD 23959 Specdb::NmrOneD 23960 Specdb::NmrOneD 23961 HMDB37957 #<Reference:0x000055ce2db8edd0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330