1.0 2010-04-08 22:15:28 UTC 2019-11-26 03:19:53 UTC FDB021101 1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol Constituent of the leaves of Byrsonima crassifolia (nance). 1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol is found in fruits. 1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol C41H78O12S 795.116 794.52139865 {6-[2,3-bis(hexadecanoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl}methanesulfonic acid {6-[2,3-bis(hexadecanoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl}methanesulfonic acid 122991-48-4 CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(O)(=O)=O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49) RVUUQPKXGDTQPG-UHFFFAOYSA-N belongs to the class of organic compounds known as sulfoquinovosyldiacylglycerols. These are glycerolipids made up of a sulfonic acid linked to the C6 atom of glucose, which in turn is bound to the O3 atom of the a 1,2-diacylglycerol moiety. Sulfoquinovosyldiacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Glycosylglycerols Aliphatic heteromonocyclic compounds Acetals Alkanesulfonic acids Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Organosulfonic acids Oxacyclic compounds Oxanes Polyols Secondary alcohols Sulfonyls Acetal Alcohol Aliphatic heteromonocyclic compound Alkanesulfonic acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organoheterocyclic compound Organooxygen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Oxacycle Oxane Polyol Secondary alcohol Sulfonyl Sulfoquinovosyldiacylglycerol logp 5.26 ALOGPS logs -6.01 ALOGPS solubility 7.79e-04 g/l ALOGPS logp 9.94 ChemAxon pka_strongest_acidic -1.2 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac {6-[2,3-bis(hexadecanoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl}methanesulfonic acid ChemAxon average_mass 795.116 ChemAxon mono_mass 794.52139865 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(O)(=O)=O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C41H78O12S ChemAxon inchi InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49) ChemAxon inchikey RVUUQPKXGDTQPG-UHFFFAOYSA-N ChemAxon polar_surface_area 186.12 ChemAxon refractivity 208.51 ChemAxon polarizability 95.01 ChemAxon rotatable_bond_count 38 ChemAxon acceptor_count 10 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 787503 Specdb::CMs 787504 Specdb::CMs 787505 Specdb::CMs 787506 Specdb::MsMs 308179 Specdb::MsMs 308180 Specdb::MsMs 308181 Specdb::MsMs 352306 Specdb::MsMs 352307 Specdb::MsMs 352308 Specdb::MsMs 2751721 Specdb::MsMs 2751722 Specdb::MsMs 2751723 Specdb::MsMs 2930736 Specdb::MsMs 2930737 Specdb::MsMs 2930738 HMDB41202 #<Reference:0x00007f093c195e78> Fruits Unknown generic