1.0 2010-04-08 22:14:53 UTC 2025-11-19 02:29:00 UTC FDB020237 6-Hydroxykaempferol 3-rutinoside 6-glucoside 6-hydroxykaempferol 3-rutinoside 6-glucoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. 6-hydroxykaempferol 3-rutinoside 6-glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). 6-hydroxykaempferol 3-rutinoside 6-glucoside can be found in safflower, which makes 6-hydroxykaempferol 3-rutinoside 6-glucoside a potential biomarker for the consumption of this food product. 3,4',5,6,7-Pentahydroxyflavone 3-O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 6-O-b-D-glucopyranoside 6-Hydroxykaempferol 3-rutinoside-6-glucoside C33H40O21 772.6581 772.206208342 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-{[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 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-{[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 145134-63-0 CC1OC(OCC2OC(OC3=C(OC4=C(C(O)=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C33H40O21/c1-9-17(37)22(42)25(45)31(49-9)48-8-15-19(39)24(44)27(47)33(52-15)54-30-21(41)16-13(50-28(30)10-2-4-11(35)5-3-10)6-12(36)29(20(16)40)53-32-26(46)23(43)18(38)14(7-34)51-32/h2-6,9,14-15,17-19,22-27,31-40,42-47H,7-8H2,1H3 NEXCWFVNYYIZCR-UHFFFAOYSA-N belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Biflavonoids and polyflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Biflavonoids and polyflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids A-type proanthocyanidins Alkyl aryl ethers Benzene and substituted derivatives Flavan-3-ols Hydrocarbon derivatives Ketals Oxacyclic compounds Polyols Pyranochromenes Pyranoflavonoids Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid A-type proanthocyanidin Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Bi- and polyflavonoid skeleton Chromane Ether Flavan Flavan-3-ol Hydrocarbon derivative Hydroxyflavonoid Ketal Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Proanthocyanidin Pyranochromene Pyranoflavonoid Secondary alcohol logp -0.78 ALOGPS logs -1.88 ALOGPS solubility 1.02e+01 g/l ALOGPS melting_point Mp 205-207° logp -3.1 ChemAxon pka_strongest_acidic 6.81 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-{[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=C(C(O)=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C33H40O21 ChemAxon inchi InChI=1S/C33H40O21/c1-9-17(37)22(42)25(45)31(49-9)48-8-15-19(39)24(44)27(47)33(52-15)54-30-21(41)16-13(50-28(30)10-2-4-11(35)5-3-10)6-12(36)29(20(16)40)53-32-26(46)23(43)18(38)14(7-34)51-32/h2-6,9,14-15,17-19,22-27,31-40,42-47H,7-8H2,1H3 ChemAxon inchikey NEXCWFVNYYIZCR-UHFFFAOYSA-N ChemAxon polar_surface_area 344.67 ChemAxon refractivity 172.29 ChemAxon polarizability 73.61 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 21 ChemAxon donor_count 13 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1276192 Specdb::MsMs 1276193 Specdb::MsMs 1276194 Specdb::MsMs 1391131 Specdb::MsMs 1391132 Specdb::MsMs 1391133 Specdb::MsMs 3606526 Specdb::MsMs 3606527 Specdb::MsMs 3606528 Specdb::MsMs 3606529 Specdb::MsMs 3606530 Specdb::MsMs 3606531 Safflower Type 1 specific Carthamus tinctorius 4222