1.0 2010-04-08 22:05:28 UTC 2019-11-26 02:57:46 UTC FDB002662 Capsianoside IV Constituent of Capsicum annuum. Capsianoside IV is found in many foods, some of which are herbs and spices, pepper (c. annuum), green bell pepper, and orange bell pepper. Capsianoside IV Capsianside IV C32H52O13 644.7475 644.34079175 (2E,6E,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid (2E,6E,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid 121924-05-8 C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C=C InChI=1S/C32H52O13/c1-6-32(5,15-9-13-19(3)11-7-10-18(2)12-8-14-20(4)29(40)41)45-31-28(26(38)24(36)22(17-34)43-31)44-30-27(39)25(37)23(35)21(16-33)42-30/h6,10,13-14,21-28,30-31,33-39H,1,7-9,11-12,15-17H2,2-5H3,(H,40,41)/b18-10+,19-13+,20-14+ JZULENLOKOXFRW-MZKRGWHTSA-N belongs to the class of organic compounds known as sophorolipids. These are glycolipids containing a sophorose moiety linked glycosidically to the hydroxyl group of a 17-hydroxy-C18 saturated fatty acid. The carboxyl group of the fatty acid can be linked to the 4'-hydroxyl of the second glucose to form a lactone. Sophorolipids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Carbonyl compounds Carboxylic acids Disaccharides Diterpene glycosides Diterpenoids Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Unsaturated fatty acids Acetal Alcohol Aliphatic heteromonocyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Disaccharide Diterpene glycoside Diterpenoid Fatty acid Glycosyl compound Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid Long-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sophorolipid Terpene glycoside Unsaturated fatty acid logp 1.22 ALOGPS logs -3.35 ALOGPS solubility 2.86e-01 g/l ALOGPS logp 1.62 ChemAxon pka_strongest_acidic 5.07 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2E,6E,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid ChemAxon average_mass 644.7475 ChemAxon mono_mass 644.34079175 ChemAxon smiles C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C=C ChemAxon formula C32H52O13 ChemAxon inchi InChI=1S/C32H52O13/c1-6-32(5,15-9-13-19(3)11-7-10-18(2)12-8-14-20(4)29(40)41)45-31-28(26(38)24(36)22(17-34)43-31)44-30-27(39)25(37)23(35)21(16-33)42-30/h6,10,13-14,21-28,30-31,33-39H,1,7-9,11-12,15-17H2,2-5H3,(H,40,41)/b18-10+,19-13+,20-14+ ChemAxon inchikey JZULENLOKOXFRW-MZKRGWHTSA-N ChemAxon polar_surface_area 215.83 ChemAxon refractivity 164.36 ChemAxon polarizability 69.47 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 55014 Specdb::MsMs 55015 Specdb::MsMs 55016 Specdb::MsMs 154536 Specdb::MsMs 154537 Specdb::MsMs 154538 Specdb::MsMs 2411098 Specdb::MsMs 2411099 Specdb::MsMs 2411100 Specdb::MsMs 2555296 Specdb::MsMs 2555297 Specdb::MsMs 2555298 Specdb::CMs 24950 Specdb::CMs 634340 Specdb::CMs 634341 Specdb::CMs 634342 Specdb::CMs 634343 Specdb::CMs 634344 Specdb::CMs 634345 Specdb::CMs 634346 Specdb::CMs 634347 Specdb::CMs 634348 Specdb::CMs 634349 Specdb::CMs 634350 Specdb::CMs 634351 Specdb::CMs 634352 Specdb::CMs 634353 Specdb::CMs 634354 Specdb::CMs 634355 Specdb::CMs 634356 Specdb::CMs 634357 Specdb::CMs 634358 Specdb::CMs 634359 Specdb::CMs 634360 Specdb::CMs 634361 Specdb::CMs 634362 Specdb::CMs 634363 HMDB30736 #<Reference:0x000055ce32c991f8> Green bell pepper Type 1 specific Capsicum annuum 4072 0.9 0.9 0.9 mg/100 g Herbs and Spices Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 0.9 0.9 0.9 mg/100 g Pepper Type 1 specific Capsicum annuum 4072 0.9 0.9 0.9 mg/100 g Red bell pepper Type 1 specific Capsicum annuum 4072 0.9 0.9 0.9 mg/100 g Yellow bell pepper Type 1 specific Capsicum annuum 4072 0.9 0.9 0.9 mg/100 g