1.0 2010-04-08 22:15:17 UTC 2018-05-29 01:48:24 UTC FDB020826 Kaempferol 3-(3'',6''-di-p-coumaroylgalactoside) Constituent of Pinus sylvestris (Scotch pine) 3'',6''-Di-O-p-coumaroyltrifolin 3'',6''-di-p-Coumaroyltrifolin Kaempferol 3-(3'',6''-di-p-coumaroylgalactoside) C39H32O15 740.6624 740.174120354 (6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,5-dihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate (6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,5-dihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 68127-12-8 OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1 InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5+,16-6+ NFSCOXCDAAETPI-IAGONARPSA-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 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives 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 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran 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 4.41 ALOGPS logs -4.43 ALOGPS solubility 2.77e-02 g/l ALOGPS logp 5.62 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,5-dihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 740.6624 ChemAxon mono_mass 740.174120354 ChemAxon smiles OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1 ChemAxon formula C39H32O15 ChemAxon inchi InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5+,16-6+ ChemAxon inchikey NFSCOXCDAAETPI-IAGONARPSA-N ChemAxon polar_surface_area 238.97 ChemAxon refractivity 190.39 ChemAxon polarizability 74.04 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 318760 Specdb::MsMs 318761 Specdb::MsMs 318762 Specdb::MsMs 365665 Specdb::MsMs 365666 Specdb::MsMs 365667 Specdb::MsMs 2261689 Specdb::MsMs 2261690 Specdb::MsMs 2261691 Specdb::MsMs 3077328 Specdb::MsMs 3077329 Specdb::MsMs 3077330 Specdb::CMs 61075 Specdb::CMs 770876 Specdb::CMs 770877 Specdb::CMs 770878 Specdb::CMs 770879 Specdb::CMs 770880 Specdb::CMs 770881 Specdb::CMs 770882 Specdb::CMs 770883 Specdb::CMs 770884 Specdb::CMs 770885 Specdb::CMs 770886 Specdb::CMs 770887 Specdb::CMs 770888 Specdb::CMs 770889 Specdb::CMs 770890 Specdb::CMs 770891 Specdb::CMs 770892 Specdb::CMs 770893 Specdb::CMs 770894 Specdb::CMs 770895 Specdb::CMs 770896 Specdb::CMs 770897 Specdb::CMs 770898 Specdb::CMs 770899 HMDB40971 #<Reference:0x000055ce32fbdd98>