1.0 2010-04-08 22:15:23 UTC 2019-11-26 03:19:42 UTC FDB020976 Gingerglycolipid B From Zingiber officinale (ginger). Gingerglycolipid B is found in herbs and spices and ginger. Gingerglycolipid B C33H58O14 678.8052 678.382656564 2-hydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl (9Z,12Z)-octadeca-9,12-dienoate 2-hydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl (9Z,12Z)-octadeca-9,12-dienoate 88168-90-5 CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C33H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h6-7,9-10,22-24,26-35,37-42H,2-5,8,11-21H2,1H3/b7-6-,10-9- UHISGSDYAIIBMO-HZJYTTRNSA-N belongs to the class of organic compounds known as glycosylmonoacylglycerols. These are glycosylglycerols carrying exactly one fatty acyl chain attached to the glycerol moiety through an ester linkage. Glycosylmonoacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Glycosylglycerols Aliphatic heteromonocyclic compounds Acetals Carbonyl compounds Carboxylic acid esters Disaccharides Fatty acid esters Hydrocarbon derivatives Lineolic acids and derivatives Monocarboxylic acids and 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 Disaccharide Fatty acid ester Fatty acyl Glycosyl compound Glycosylmonoacylglycerol Hydrocarbon derivative Monocarboxylic acid or derivatives O-glycosyl compound Octadecanoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp 2.42 ALOGPS logs -3.62 ALOGPS solubility 1.64e-01 g/l ALOGPS logp 1.71 ChemAxon pka_strongest_acidic 11.9 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-hydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl (9Z,12Z)-octadeca-9,12-dienoate ChemAxon average_mass 678.8052 ChemAxon mono_mass 678.382656564 ChemAxon smiles CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C33H58O14 ChemAxon inchi InChI=1S/C33H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h6-7,9-10,22-24,26-35,37-42H,2-5,8,11-21H2,1H3/b7-6-,10-9- ChemAxon inchikey UHISGSDYAIIBMO-HZJYTTRNSA-N ChemAxon polar_surface_area 225.06 ChemAxon refractivity 170.37 ChemAxon polarizability 74.99 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 302626 Specdb::MsMs 302627 Specdb::MsMs 302628 Specdb::MsMs 345400 Specdb::MsMs 345401 Specdb::MsMs 345402 Specdb::MsMs 2680293 Specdb::MsMs 2680294 Specdb::MsMs 2680295 Specdb::MsMs 3025128 Specdb::MsMs 3025129 Specdb::MsMs 3025130 Specdb::CMs 16583 Specdb::CMs 720905 Specdb::CMs 720906 Specdb::CMs 720907 Specdb::CMs 720908 Specdb::CMs 720909 Specdb::CMs 720910 Specdb::CMs 720911 Specdb::CMs 720912 Specdb::CMs 720913 Specdb::CMs 720914 Specdb::CMs 720915 Specdb::CMs 720916 Specdb::CMs 720917 Specdb::CMs 720918 Specdb::CMs 720919 Specdb::CMs 720920 Specdb::CMs 720921 Specdb::CMs 720922 Specdb::CMs 720923 Specdb::CMs 720924 Specdb::CMs 720925 Specdb::CMs 720926 Specdb::CMs 720927 Specdb::CMs 720928 HMDB41094 #<Reference:0x000055ce321a79e8> Ginger Type 1 specific Zingiber officinale 94328 Herbs and Spices Unknown generic