1.0 2010-04-08 22:05:40 UTC 2019-11-26 02:58:32 UTC FDB003144 1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Constituent of the leaves of Byrsonima crassifolia (nance). 1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol is found in fruits. 1-O-b-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol C41H74O10 727.0203 726.528198588 1-[(8E)-hexadec-8-enoyloxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl (8E)-hexadec-8-enoate 1-[(8E)-hexadec-8-enoyloxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl (8E)-hexadec-8-enoate 617-45-8 CCCCCCC\C=C\CCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC\C=C\CCCCCCC InChI=1S/C41H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-32-34(33-49-41-40(47)39(46)38(45)35(31-42)51-41)50-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,34-35,38-42,45-47H,3-14,19-33H2,1-2H3/b17-15+,18-16+ LJGDLFGTFICYEJ-YTEMWHBBSA-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 Fatty acid esters Fatty acyl glycosides of mono- and disaccharides Hexoses 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 Fatty acid ester Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Glycosyldiacylglycerol Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp 7.82 ALOGPS logs -5.98 ALOGPS solubility 7.56e-04 g/l ALOGPS logp 9.51 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-[(8E)-hexadec-8-enoyloxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl (8E)-hexadec-8-enoate ChemAxon average_mass 727.0203 ChemAxon mono_mass 726.528198588 ChemAxon smiles CCCCCCC\C=C\CCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC\C=C\CCCCCCC ChemAxon formula C41H74O10 ChemAxon inchi InChI=1S/C41H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-32-34(33-49-41-40(47)39(46)38(45)35(31-42)51-41)50-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,34-35,38-42,45-47H,3-14,19-33H2,1-2H3/b17-15+,18-16+ ChemAxon inchikey LJGDLFGTFICYEJ-YTEMWHBBSA-N ChemAxon polar_surface_area 151.98 ChemAxon refractivity 202.35 ChemAxon polarizability 88.54 ChemAxon rotatable_bond_count 35 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 764899 Specdb::CMs 764900 Specdb::CMs 764901 Specdb::CMs 764902 Specdb::CMs 764903 Specdb::CMs 764904 Specdb::CMs 764905 Specdb::CMs 764906 Specdb::CMs 764907 Specdb::CMs 764908 Specdb::CMs 764909 Specdb::CMs 764910 Specdb::CMs 764911 Specdb::CMs 764912 Specdb::MsMs 61641 Specdb::MsMs 61642 Specdb::MsMs 61643 Specdb::MsMs 118209 Specdb::MsMs 118210 Specdb::MsMs 118211 Specdb::MsMs 2759195 Specdb::MsMs 2759196 Specdb::MsMs 2759197 Specdb::MsMs 2949627 Specdb::MsMs 2949628 Specdb::MsMs 2949629 HMDB31133 #<Reference:0x000055ce321bfd90> Fruits Unknown generic