1.0 2010-04-08 22:13:33 UTC 2019-11-26 03:15:49 UTC FDB018181 Kaempferol 3-(2-feruloylglucoside) 4',7-diglucoside Isolated from Chinese chives (Allium tuberosum). Kaempferol 3-(2-feruloylglucoside) 4',7-diglucoside is found in onion-family vegetables. Kaempferol 3-(2-feruloylglucoside) 4',7-diglucoside Kaempferol 3-(2''-ferulylglucoside)-7,4'-diglucoside C43H48O24 948.8268 948.253552464 4,5-dihydroxy-2-[(5-hydroxy-4-oxo-7-{[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-3-yl)oxy]-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 4,5-dihydroxy-2-[(5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-3-yl)oxy]-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 108887-47-4 COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=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)67-39-32(53)28-21(48)11-19(61-42-37(58)34(55)30(51)25(14-45)64-42)12-23(28)62-38(39)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+ XDQCEAKLWIPMLQ-YCRREMRBSA-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 -2.90 ALOGPS solubility 1.20e+00 g/l ALOGPS melting_point Mp 235-238° 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-7-{[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-3-yl)oxy]-6-(hydroxymethyl)oxan-3-yl (2E)-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=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4C3=O)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=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)67-39-32(53)28-21(48)11-19(61-42-37(58)34(55)30(51)25(14-45)64-42)12-23(28)62-38(39)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 XDQCEAKLWIPMLQ-YCRREMRBSA-N ChemAxon polar_surface_area 380.2 ChemAxon refractivity 219.6 ChemAxon polarizability 92.12 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 23 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 46074 Specdb::MsMs 46075 Specdb::MsMs 46076 Specdb::MsMs 165564 Specdb::MsMs 165565 Specdb::MsMs 165566 Specdb::MsMs 2681088 Specdb::MsMs 2681089 Specdb::MsMs 2681090 Specdb::MsMs 3027597 Specdb::MsMs 3027598 Specdb::MsMs 3027599 Specdb::NmrOneD 29182 Specdb::NmrOneD 29183 Specdb::NmrOneD 29184 Specdb::NmrOneD 29185 Specdb::NmrOneD 29186 Specdb::NmrOneD 29187 Specdb::NmrOneD 29188 Specdb::NmrOneD 29189 Specdb::NmrOneD 29190 Specdb::NmrOneD 29191 Specdb::NmrOneD 29192 Specdb::NmrOneD 29193 Specdb::NmrOneD 29194 Specdb::NmrOneD 29195 Specdb::NmrOneD 29196 Specdb::NmrOneD 29197 Specdb::NmrOneD 29198 Specdb::NmrOneD 29199 Specdb::NmrOneD 29200 Specdb::NmrOneD 29201 HMDB38764 #<Reference:0x000055ce33648708> 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