1.0 2010-04-08 22:05:25 UTC 2019-11-26 02:57:34 UTC FDB002528 Kaempferol 3-(6''-rhamnosylgalactoside) 7-rhamnoside Kaempferol 3-(6''-rhamnosylgalactoside) 7-rhamnoside 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. Kaempferol 3-(6''-rhamnosylgalactoside) 7-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-(6''-rhamnosylgalactoside) 7-rhamnoside can be found in adzuki bean, mung bean, and sacred lotus, which makes kaempferol 3-(6''-rhamnosylgalactoside) 7-rhamnoside a potential biomarker for the consumption of these food products. a-Rhamnoisorobin 3-O-[a-L-rhamnopyranosyl-(1->6)-b-D-galactopyranoside] a-Rhamnoisorobin 3-O-[a-L-rhamnosyl-(1->6)-b-D-galactoside] Kaempferol 3-(6''-rhamnosylgalactoside) 7-rhamnoside Kaempferol-3-O-gal-rham-7-O-rham Kaempferol-3-O-robinoside-7-O-rhamnoside Robinin C33H40O19 740.6593 740.216379098 5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-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 robinin 301-19-9 CC1OC(OCC2OC(OC3=C(OC4=CC(OC5OC(C)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3 PEFASEPMJYRQBW-UHFFFAOYSA-N belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. Aniline and substituted anilines Organic compounds Benzenoids Benzene and substituted derivatives Aniline and substituted anilines Aromatic homomonocyclic compounds Amino acids Aryl fluorides Carbonyl compounds Carboxylic acids Fluorobenzenes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organofluorides Organopnictogen compounds Secondary amines Amine Amino acid Amino acid or derivatives Aniline or substituted anilines Aromatic homomonocyclic compound Aryl fluoride Aryl halide Carbonyl group Carboxylic acid Carboxylic acid derivative Fluorobenzene Halobenzene Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary amine aromatic amino acid monocarboxylic acid organofluorine compound secondary amino compound logp -0.26 ALOGPS logs -2.18 ALOGPS solubility 4.87e+00 g/l ALOGPS melting_point Mp 196-199° (hydrate) logp -1.8 ChemAxon pka_strongest_acidic 7.08 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-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 740.6593 ChemAxon mono_mass 740.216379098 ChemAxon smiles CC1OC(OCC2OC(OC3=C(OC4=CC(OC5OC(C)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C33H40O19 ChemAxon inchi InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3 ChemAxon inchikey PEFASEPMJYRQBW-UHFFFAOYSA-N ChemAxon polar_surface_area 304.21 ChemAxon refractivity 168.76 ChemAxon polarizability 71.97 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 19 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 965888 Specdb::CMs 965889 Specdb::CMs 965890 Specdb::CMs 965891 Specdb::CMs 965892 Specdb::CMs 965893 Specdb::CMs 965894 Specdb::CMs 965895 Specdb::CMs 965896 Specdb::CMs 965897 Specdb::CMs 965898 Specdb::CMs 965899 Specdb::CMs 965900 Specdb::CMs 965901 Specdb::CMs 965902 Specdb::CMs 965903 Specdb::CMs 965904 Specdb::CMs 965905 Specdb::CMs 965906 Specdb::CMs 965907 Specdb::CMs 965908 Specdb::CMs 965909 Specdb::CMs 965910 Specdb::CMs 965911 Specdb::CMs 965912 Specdb::NmrOneD 239368 Specdb::NmrOneD 239369 Specdb::NmrOneD 239370 Specdb::NmrOneD 239371 Specdb::NmrOneD 239372 Specdb::NmrOneD 239373 Specdb::NmrOneD 239374 Specdb::NmrOneD 239375 Specdb::NmrOneD 239376 Specdb::NmrOneD 239377 Specdb::NmrOneD 239378 Specdb::NmrOneD 239379 Specdb::NmrOneD 239380 Specdb::NmrOneD 239381 Specdb::NmrOneD 239382 Specdb::NmrOneD 239383 Specdb::NmrOneD 239384 Specdb::NmrOneD 239385 Specdb::NmrOneD 239386 Specdb::NmrOneD 239387 Specdb::MsMs 43773 Specdb::MsMs 43774 Specdb::MsMs 43775 Specdb::MsMs 159732 Specdb::MsMs 159733 Specdb::MsMs 159734 Specdb::MsMs 2227112 Specdb::MsMs 2227616 Specdb::MsMs 2229437 Specdb::MsMs 2230020 Specdb::MsMs 2234309 Specdb::MsMs 2234615 Specdb::MsMs 2239597 Specdb::MsMs 2244175 Specdb::MsMs 2245927 Specdb::MsMs 2246266 Specdb::MsMs 2248007 Specdb::MsMs 2248385 Specdb::MsMs 2250005 Specdb::MsMs 2250413 Specdb::MsMs 2251956 Specdb::MsMs 2255167 Adzuki bean Type 1 specific Vigna angularis 3914 Mung bean Type 1 specific Vigna radiata 157791 Sacred lotus Type 1 specific Nelumbo nucifera 4432 anti azotemic 141 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti bacterial 145 A substance that kills or slows the growth of bacteria. anti cancer 159 A substance that inhibits or prevents the proliferation of neoplasms. anti mutagenic 451 anti radicular 572 antioxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. antitumor promoter 673 A substance that inhibits or prevents the proliferation of neoplasms. cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. diuretic 883 An agent that promotes the excretion of urine through its effects on kidney function. pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.