1.0 2010-04-08 22:12:37 UTC 2019-11-26 03:13:41 UTC FDB016726 Capsoside A Constituent of the fruit of Capsicum annuum variety acuminatum. Capsoside A is found in many foods, some of which are italian sweet red pepper, orange bell pepper, green bell pepper, and herbs and spices. Capsoside A C33H58O15 694.8046 694.377571186 2-[(3E)-hex-3-enoyloxy]-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl dodecanoate 2-[(3E)-hex-3-enoyloxy]-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl dodecanoate CCCCCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)C\C=C\CC InChI=1S/C33H58O15/c1-3-5-7-8-9-10-11-12-14-15-24(35)43-18-21(46-25(36)16-13-6-4-2)19-44-32-31(42)29(40)27(38)23(48-32)20-45-33-30(41)28(39)26(37)22(17-34)47-33/h6,13,21-23,26-34,37-42H,3-5,7-12,14-20H2,1-2H3/b13-6+ WMXPZMBCAXYUAO-AWNIVKPZSA-N belongs to the class of organic compounds known as glycosyldiacylglycerols. These are diacylglycerols that carry a saccharide moiety linked to the glycerol. Glycosyldiacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Glycosylglycerols Aliphatic heteromonocyclic compounds Acetals Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Disaccharides Fatty acid esters Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Disaccharide Fatty acid ester Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Glycosyldiacylglycerol Hydrocarbon derivative O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp 2.10 ALOGPS logs -3.33 ALOGPS solubility 3.27e-01 g/l ALOGPS logp 1.88 ChemAxon pka_strongest_acidic 11.91 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[(3E)-hex-3-enoyloxy]-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl dodecanoate ChemAxon average_mass 694.8046 ChemAxon mono_mass 694.377571186 ChemAxon smiles CCCCCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)C\C=C\CC ChemAxon formula C33H58O15 ChemAxon inchi InChI=1S/C33H58O15/c1-3-5-7-8-9-10-11-12-14-15-24(35)43-18-21(46-25(36)16-13-6-4-2)19-44-32-31(42)29(40)27(38)23(48-32)20-45-33-30(41)28(39)26(37)22(17-34)47-33/h6,13,21-23,26-34,37-42H,3-5,7-12,14-20H2,1-2H3/b13-6+ ChemAxon inchikey WMXPZMBCAXYUAO-AWNIVKPZSA-N ChemAxon polar_surface_area 231.13 ChemAxon refractivity 169.23 ChemAxon polarizability 76.04 ChemAxon rotatable_bond_count 25 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24018 Specdb::CMs 745013 Specdb::CMs 745014 Specdb::CMs 745015 Specdb::CMs 745016 Specdb::CMs 745017 Specdb::CMs 745018 Specdb::CMs 745019 Specdb::CMs 745020 Specdb::CMs 745021 Specdb::CMs 745022 Specdb::CMs 745023 Specdb::CMs 745024 Specdb::CMs 745025 Specdb::CMs 745026 Specdb::CMs 745027 Specdb::CMs 745028 Specdb::CMs 745029 Specdb::CMs 745030 Specdb::CMs 745031 Specdb::CMs 745032 Specdb::CMs 745033 Specdb::CMs 745034 Specdb::CMs 745035 Specdb::CMs 745036 Specdb::MsMs 108501 Specdb::MsMs 108502 Specdb::MsMs 108503 Specdb::MsMs 175740 Specdb::MsMs 175741 Specdb::MsMs 175742 Specdb::MsMs 2817573 Specdb::MsMs 2817574 Specdb::MsMs 2817575 Specdb::MsMs 2888752 Specdb::MsMs 2888753 Specdb::MsMs 2888754 HMDB37613 #<Reference:0x000055ce31cb8ae0> Fruits Unknown generic Green bell pepper Type 1 specific Capsicum annuum 4072 Herbs and Spices Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072