1.0 2010-04-08 22:12:50 UTC 2025-11-19 01:52:02 UTC FDB017100 Quercetin 7-rutinoside Isol. form Capparis spinosa (caper). Quercetin 7-rutinoside is found in herbs and spices. Quercetin 7-rutinoside C27H30O16 610.5175 610.153384912 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(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)-3,5-dihydroxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one 147714-62-3 CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C(O)=C(OC4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C27H30O16/c1-8-17(31)20(34)23(37)26(40-8)39-7-15-18(32)21(35)24(38)27(43-15)41-10-5-13(30)16-14(6-10)42-25(22(36)19(16)33)9-2-3-11(28)12(29)4-9/h2-6,8,15,17-18,20-21,23-24,26-32,34-38H,7H2,1H3 IVTMALDHFAHOGL-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 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols Chromones Disaccharides Flavonols Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavone 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Disaccharide Flavone 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 Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.15 ALOGPS logs -2.39 ALOGPS solubility 2.50e+00 g/l ALOGPS melting_point Mp 218-222° (178-179) logp -0.84 ChemAxon pka_strongest_acidic 7.98 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(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 610.5175 ChemAxon mono_mass 610.153384912 ChemAxon smiles CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C(O)=C(OC4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C27H30O16 ChemAxon inchi InChI=1S/C27H30O16/c1-8-17(31)20(34)23(37)26(40-8)39-7-15-18(32)21(35)24(38)27(43-15)41-10-5-13(30)16-14(6-10)42-25(22(36)19(16)33)9-2-3-11(28)12(29)4-9/h2-6,8,15,17-18,20-21,23-24,26-32,34-38H,7H2,1H3 ChemAxon inchikey IVTMALDHFAHOGL-UHFFFAOYSA-N ChemAxon polar_surface_area 265.52 ChemAxon refractivity 139.88 ChemAxon polarizability 58.5 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7277 Specdb::MsMs 7278 Specdb::MsMs 7279 Specdb::MsMs 13949 Specdb::MsMs 13950 Specdb::MsMs 13951 Specdb::MsMs 2695683 Specdb::MsMs 2695684 Specdb::MsMs 2695685 Specdb::MsMs 2986993 Specdb::MsMs 2986994 Specdb::MsMs 2986995 Specdb::CMs 9679 Specdb::CMs 45597 Specdb::CMs 505886 Specdb::CMs 505887 Specdb::CMs 505888 Specdb::CMs 505889 Specdb::CMs 505890 Specdb::CMs 505891 Specdb::CMs 505892 Specdb::CMs 505893 Specdb::CMs 505894 Specdb::CMs 505895 Specdb::CMs 505896 Specdb::CMs 505897 Specdb::CMs 505898 Specdb::CMs 505899 Specdb::CMs 505900 Specdb::CMs 505901 Specdb::CMs 505902 Specdb::CMs 505903 Specdb::CMs 505904 Specdb::CMs 505905 Specdb::CMs 505906 Specdb::CMs 505907 Specdb::CMs 505908 Specdb::NmrOneD 23682 Specdb::NmrOneD 23683 Specdb::NmrOneD 23684 Specdb::NmrOneD 23685 Specdb::NmrOneD 23686 Specdb::NmrOneD 23687 Specdb::NmrOneD 23688 Specdb::NmrOneD 23689 Specdb::NmrOneD 23690 Specdb::NmrOneD 23691 Specdb::NmrOneD 23692 Specdb::NmrOneD 23693 Specdb::NmrOneD 23694 Specdb::NmrOneD 23695 Specdb::NmrOneD 23696 Specdb::NmrOneD 23697 Specdb::NmrOneD 23698 Specdb::NmrOneD 23699 Specdb::NmrOneD 23700 Specdb::NmrOneD 23701 HMDB37934 #<Reference:0x000055ce335702b8> Herbs and Spices Unknown generic