1.0 2010-04-08 22:12:24 UTC 2025-11-19 01:46:41 UTC FDB016380 Quercetin 3-rhamnoside 7-glucoside Quercetin 3-rhamnoside 7-glucoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Quercetin 3-rhamnoside 7-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Quercetin 3-rhamnoside 7-glucoside can be found in a number of food items such as yellow bell pepper, orange bell pepper, pepper (c. annuum), and italian sweet red pepper, which makes quercetin 3-rhamnoside 7-glucoside a potential biomarker for the consumption of these food products. Quercetin 3-rhamnoside-7-glucoside C27H30O16 610.5175 610.153384912 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-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-methyloxan-2-yl)oxy]chromen-4-one 17306-45-5 CC1OC(OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)43-25-19(34)16-13(31)5-10(40-27-23(38)21(36)18(33)15(7-28)42-27)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 MCTZMXCUYPDYNE-UHFFFAOYSA-N belongs to the class of organic compounds known as coumestans. These are polycyclic aromatic compounds containing a coumestan moiety, which consists of a benzoxole fused to a chromen-2-one to form 1-Benzoxolo[3,2-c]chromen-6-one. They are oxidation products of pterocarpan. Coumestans Organic compounds Phenylpropanoids and polyketides Isoflavonoids Coumestans Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Angular furanocoumarins Anisoles Benzofurans Furans Furopyrans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Angular furanocoumarin Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Coumarin Coumestan Ether Furan Furanocoumarin Furopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Coumestan flavonoids logp -0.23 ALOGPS logs -2.28 ALOGPS solubility 3.23e+00 g/l ALOGPS melting_point Mp 202-203° (196-197°) logp -1.4 ChemAxon pka_strongest_acidic 7.08 ChemAxon pka_strongest_basic -3.6 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-methyloxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 610.5175 ChemAxon mono_mass 610.153384912 ChemAxon smiles CC1OC(OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C27H30O16 ChemAxon inchi InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)43-25-19(34)16-13(31)5-10(40-27-23(38)21(36)18(33)15(7-28)42-27)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 ChemAxon inchikey MCTZMXCUYPDYNE-UHFFFAOYSA-N ChemAxon polar_surface_area 265.52 ChemAxon refractivity 139.88 ChemAxon polarizability 57.7 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62538 Specdb::MsMs 62539 Specdb::MsMs 62540 Specdb::MsMs 119286 Specdb::MsMs 119287 Specdb::MsMs 119288 Specdb::MsMs 2339268 Specdb::MsMs 2339269 Specdb::MsMs 2339270 Specdb::MsMs 2625827 Specdb::MsMs 2625828 Specdb::MsMs 2625829 Specdb::CMs 56200 Specdb::CMs 509439 Specdb::CMs 509440 Specdb::CMs 509441 Specdb::CMs 509442 Specdb::CMs 509443 Specdb::CMs 509444 Specdb::CMs 509445 Specdb::CMs 509446 Specdb::CMs 509447 Specdb::CMs 509448 Specdb::CMs 509449 Specdb::CMs 509450 Specdb::CMs 509451 Specdb::CMs 509452 Specdb::CMs 509453 Specdb::CMs 509454 Specdb::CMs 509455 Specdb::CMs 509456 Specdb::CMs 509457 Specdb::CMs 509458 Specdb::CMs 509459 Specdb::CMs 509460 Specdb::CMs 509461 Specdb::CMs 509462 Green bell pepper Type 1 specific Capsicum annuum 4072 Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072