1.0 2010-04-08 22:15:23 UTC 2019-11-26 03:19:42 UTC FDB020975 Gingerglycolipid A Constituent of Zingiber officinale (ginger). Gingerglycolipid A is found in herbs and spices and ginger. C33H56O14 676.7893 676.3670065 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,15Z)-octadeca-9,12,15-trienoate 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,15Z)-octadeca-9,12,15-trienoate 145937-22-0 CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C33H56O14/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/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9- MPSGDHOYFIUPSO-PDBXOOCHSA-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 2.30 ALOGPS logs -3.58 ALOGPS solubility 1.79e-01 g/l ALOGPS logp 1.34 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,15Z)-octadeca-9,12,15-trienoate ChemAxon average_mass 676.7893 ChemAxon mono_mass 676.3670065 ChemAxon smiles CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C33H56O14 ChemAxon inchi InChI=1S/C33H56O14/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/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9- ChemAxon inchikey MPSGDHOYFIUPSO-PDBXOOCHSA-N ChemAxon polar_surface_area 225.06 ChemAxon refractivity 171.49 ChemAxon polarizability 73.66 ChemAxon rotatable_bond_count 23 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 320347 Specdb::MsMs 320348 Specdb::MsMs 320349 Specdb::MsMs 367708 Specdb::MsMs 367709 Specdb::MsMs 367710 Specdb::MsMs 2660281 Specdb::MsMs 2660282 Specdb::MsMs 2660283 Specdb::MsMs 3018321 Specdb::MsMs 3018322 Specdb::MsMs 3018323 Specdb::CMs 24562 Specdb::CMs 720035 Specdb::CMs 720036 Specdb::CMs 720037 Specdb::CMs 720038 Specdb::CMs 720039 Specdb::CMs 720040 Specdb::CMs 720041 Specdb::CMs 720042 Specdb::CMs 720043 Specdb::CMs 720044 Specdb::CMs 720045 Specdb::CMs 720046 Specdb::CMs 720047 Specdb::CMs 720048 Specdb::CMs 720049 Specdb::CMs 720050 Specdb::CMs 720051 Specdb::CMs 720052 Specdb::CMs 720053 Specdb::CMs 720054 Specdb::CMs 720055 Specdb::CMs 720056 Specdb::CMs 720057 Specdb::CMs 720058 HMDB41093 #<Reference:0x000055ce32c9f1c0> Ginger Type 1 specific Zingiber officinale 94328 Herbs and Spices Unknown generic