1.0 2010-04-08 22:13:33 UTC 2019-11-26 03:15:49 UTC FDB018180 Kaempferol 3,4'-diglucoside 7-(2-feruloylglucoside) Isolated from Chinese chives (Allium tuberosum) leaf. Kaempferol 3,4'-diglucoside 7-(2-feruloylglucoside) is found in onion-family vegetables. Kaempferol 3,4'-diglucoside 7-(2-feruloylglucoside) Kaempferol 3,4'-diglucoside-7-(2''-ferulylglucoside) C43H48O24 948.8268 948.253552464 4,5-dihydroxy-2-[(5-hydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-7-yl)oxy]-6-(hydroxymethyl)oxan-3-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 4,5-dihydroxy-2-[(5-hydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-7-yl)oxy]-6-(hydroxymethyl)oxan-3-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 108887-46-3 COC1=C(O)C=CC(\C=C/C(=O)OC2C(OC3=CC(O)=C4C(OC(C5=CC=C(OC6OC(CO)C(O)C(O)C6O)C=C5)=C(OC5OC(CO)C(O)C(O)C5O)C4=O)=C3)OC(CO)C(O)C2O)=C1 InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)47)3-9-27(49)66-40-35(56)31(52)26(15-46)65-43(40)61-19-11-21(48)28-23(12-19)62-38(39(32(28)53)67-42-37(58)34(55)30(51)25(14-45)64-42)17-4-6-18(7-5-17)60-41-36(57)33(54)29(50)24(13-44)63-41/h2-12,24-26,29-31,33-37,40-48,50-52,54-58H,13-15H2,1H3/b9-3- SJOFKYITWVGVEV-OQFOIZHKSA-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 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Carbonyl compounds Chromones Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Styrene Vinylogous acid logp 0.40 ALOGPS logs -2.92 ALOGPS solubility 1.14e+00 g/l ALOGPS melting_point Mp 214-217° logp -1.8 ChemAxon pka_strongest_acidic 8.29 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 4,5-dihydroxy-2-[(5-hydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-7-yl)oxy]-6-(hydroxymethyl)oxan-3-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ChemAxon average_mass 948.8268 ChemAxon mono_mass 948.253552464 ChemAxon smiles COC1=C(O)C=CC(\C=C/C(=O)OC2C(OC3=CC(O)=C4C(OC(C5=CC=C(OC6OC(CO)C(O)C(O)C6O)C=C5)=C(OC5OC(CO)C(O)C(O)C5O)C4=O)=C3)OC(CO)C(O)C2O)=C1 ChemAxon formula C43H48O24 ChemAxon inchi InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)47)3-9-27(49)66-40-35(56)31(52)26(15-46)65-43(40)61-19-11-21(48)28-23(12-19)62-38(39(32(28)53)67-42-37(58)34(55)30(51)25(14-45)64-42)17-4-6-18(7-5-17)60-41-36(57)33(54)29(50)24(13-44)63-41/h2-12,24-26,29-31,33-37,40-48,50-52,54-58H,13-15H2,1H3/b9-3- ChemAxon inchikey SJOFKYITWVGVEV-OQFOIZHKSA-N ChemAxon polar_surface_area 380.2 ChemAxon refractivity 219.6 ChemAxon polarizability 93.16 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 23 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 105237 Specdb::MsMs 105238 Specdb::MsMs 105239 Specdb::MsMs 171696 Specdb::MsMs 171697 Specdb::MsMs 171698 Specdb::MsMs 2661091 Specdb::MsMs 2661092 Specdb::MsMs 2661093 Specdb::MsMs 3020799 Specdb::MsMs 3020800 Specdb::MsMs 3020801 Specdb::NmrOneD 29162 Specdb::NmrOneD 29163 Specdb::NmrOneD 29164 Specdb::NmrOneD 29165 Specdb::NmrOneD 29166 Specdb::NmrOneD 29167 Specdb::NmrOneD 29168 Specdb::NmrOneD 29169 Specdb::NmrOneD 29170 Specdb::NmrOneD 29171 Specdb::NmrOneD 29172 Specdb::NmrOneD 29173 Specdb::NmrOneD 29174 Specdb::NmrOneD 29175 Specdb::NmrOneD 29176 Specdb::NmrOneD 29177 Specdb::NmrOneD 29178 Specdb::NmrOneD 29179 Specdb::NmrOneD 29180 Specdb::NmrOneD 29181 HMDB38763 #<Reference:0x000055ce335b6448> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875