1.0 2010-04-08 22:13:53 UTC 2019-11-26 03:16:31 UTC FDB018702 Raphanusol A Isolated from Raphanus sativus (Sakura jima radish) seedling. Raphanusol A is found in root vegetables. 1,4-Di-O-sinapoylgentiobiose 6-O-b-D-Glucopyranosyl-b-D-glucopyranose-1,4-bis[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate], 9CI C34H42O19 754.6859 754.232029162 3,4-dihydroxy-5-{[(2Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 3,4-dihydroxy-5-{[(2Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 74565-72-3 COC1=CC(\C=C/C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC(=O)\C=C/C3=CC(OC)=C(O)C(OC)=C3)C(O)C2O)=CC(OC)=C1O InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-22(14-49-33-30(43)28(41)27(40)21(13-35)50-33)51-34(31(44)29(32)42)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/b7-5-,8-6- BNNDGKUSPRXSPJ-SFECMWDFSA-N belongs to the class of organic compounds known as hydroxycinnamic acid glycosides. These are glycosylated hydoxycinnamic acids derivatives. Hydroxycinnamic acid glycosides Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic heteromonocyclic compounds Acetals Alkyl aryl ethers Anisoles Carbonyl compounds Coumaric acids and derivatives Dicarboxylic acids and derivatives Dimethoxybenzenes Disaccharides Enoate esters Fatty acid esters Hydrocarbon derivatives Methoxyphenols O-cinnamoyl glycosides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid or derivatives Dicarboxylic acid or derivatives Dimethoxybenzene Disaccharide Enoate ester Ether Fatty acid ester Fatty acyl Glycosyl compound Hydrocarbon derivative Hydroxycinnamic acid glycoside M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-cinnamoyl glycoside O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Primary alcohol Secondary alcohol Styrene logp 0.89 ALOGPS logs -3.35 ALOGPS solubility 3.40e-01 g/l ALOGPS melting_point Mp 137-138° logp 0.13 ChemAxon pka_strongest_acidic 8.99 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,4-dihydroxy-5-{[(2Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate ChemAxon average_mass 754.6859 ChemAxon mono_mass 754.232029162 ChemAxon smiles COC1=CC(\C=C/C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC(=O)\C=C/C3=CC(OC)=C(O)C(OC)=C3)C(O)C2O)=CC(OC)=C1O ChemAxon formula C34H42O19 ChemAxon inchi InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-22(14-49-33-30(43)28(41)27(40)21(13-35)50-33)51-34(31(44)29(32)42)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/b7-5-,8-6- ChemAxon inchikey BNNDGKUSPRXSPJ-SFECMWDFSA-N ChemAxon polar_surface_area 279.05 ChemAxon refractivity 177.29 ChemAxon polarizability 73.83 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 17 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 53625 Specdb::MsMs 53626 Specdb::MsMs 53627 Specdb::MsMs 114768 Specdb::MsMs 114769 Specdb::MsMs 114770 Specdb::MsMs 2413873 Specdb::MsMs 2413874 Specdb::MsMs 2413875 Specdb::MsMs 2552711 Specdb::MsMs 2552712 Specdb::MsMs 2552713 Specdb::CMs 72817 Specdb::CMs 779168 Specdb::CMs 779169 Specdb::CMs 779170 Specdb::CMs 779171 Specdb::CMs 779172 Specdb::CMs 779173 Specdb::CMs 779174 Specdb::CMs 779175 Specdb::CMs 779176 Specdb::CMs 779177 Specdb::CMs 779178 Specdb::CMs 779179 Specdb::CMs 779180 Specdb::CMs 779181 Specdb::CMs 779182 Specdb::CMs 779183 Specdb::CMs 779184 Specdb::CMs 779185 Specdb::CMs 779186 Specdb::CMs 779187 Specdb::CMs 779188 Specdb::CMs 779189 Specdb::CMs 779190 Specdb::CMs 779191 HMDB39175 #<Reference:0x000055ce31d5ab88> Root vegetables Unknown generic