1.0 2010-04-08 22:09:17 UTC 2019-11-26 03:04:05 UTC FDB010767 AS 1-2 Isolated from garlic bulbs. AS 1-2 is found in onion-family vegetables. AS 1-2 C39H73NO9 699.9982 699.528532939 2-hydroxy-N-[(4Z,8Z)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]pentadecanamide 2-hydroxy-N-[(4Z,8Z)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]pentadecanamide 7440-38-2 CCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC InChI=1S/C39H73NO9/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(42)31(30-48-39-37(46)36(45)35(44)34(29-41)49-39)40-38(47)33(43)28-26-24-22-20-17-14-12-10-8-6-4-2/h18-19,25,27,31-37,39,41-46H,3-17,20-24,26,28-30H2,1-2H3,(H,40,47)/b19-18-,27-25- NHVGKAGJOWJYCD-VFRXEOFNSA-N belongs to the class of organic compounds known as glycosyl-n-acylsphingosines. Glycosyl-N-acylsphingosines are compounds containing a sphingosine linked to a simple glucosyl moiety. Glycosyl-N-acylsphingosines Organic compounds Lipids and lipid-like molecules Sphingolipids Glycosphingolipids Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Carbonyl compounds Fatty acyl glycosides of mono- and disaccharides Hexoses Hydrocarbon derivatives N-acyl amines O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Carboxamide group Carboxylic acid derivative Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Fatty amide Glycosyl compound Glycosyl-n-acylsphingosine Hexose monosaccharide Hydrocarbon derivative Monosaccharide N-acyl-amine O-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide logp 6.36 ALOGPS logs -5.30 ALOGPS solubility 3.47e-03 g/l ALOGPS melting_point Mp 195-200° logp 7.42 ChemAxon pka_strongest_acidic 12.06 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-hydroxy-N-[(4Z,8Z)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]pentadecanamide ChemAxon average_mass 699.9982 ChemAxon mono_mass 699.528532939 ChemAxon smiles CCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC ChemAxon formula C39H73NO9 ChemAxon inchi InChI=1S/C39H73NO9/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(42)31(30-48-39-37(46)36(45)35(44)34(29-41)49-39)40-38(47)33(43)28-26-24-22-20-17-14-12-10-8-6-4-2/h18-19,25,27,31-37,39,41-46H,3-17,20-24,26,28-30H2,1-2H3,(H,40,47)/b19-18-,27-25- ChemAxon inchikey NHVGKAGJOWJYCD-VFRXEOFNSA-N ChemAxon polar_surface_area 168.94 ChemAxon refractivity 196.2 ChemAxon polarizability 84.93 ChemAxon rotatable_bond_count 31 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 748812 Specdb::CMs 748813 Specdb::CMs 748814 Specdb::CMs 748815 Specdb::CMs 748816 Specdb::CMs 748817 Specdb::CMs 748818 Specdb::CMs 748819 Specdb::CMs 748820 Specdb::CMs 748821 Specdb::CMs 748822 Specdb::CMs 748823 Specdb::CMs 748824 Specdb::CMs 748825 Specdb::CMs 748826 Specdb::CMs 748827 Specdb::CMs 748828 Specdb::CMs 748829 Specdb::CMs 748830 Specdb::CMs 748831 Specdb::CMs 748832 Specdb::CMs 748833 Specdb::CMs 748834 Specdb::CMs 748835 Specdb::CMs 748836 Specdb::MsMs 56376 Specdb::MsMs 56377 Specdb::MsMs 56378 Specdb::MsMs 111774 Specdb::MsMs 111775 Specdb::MsMs 111776 Specdb::MsMs 2288259 Specdb::MsMs 2288260 Specdb::MsMs 2288261 Specdb::MsMs 2647164 Specdb::MsMs 2647165 Specdb::MsMs 2647166 HMDB32795 #<Reference:0x000055ce31ec56a8> #<Reference:0x000055ce31ec54f0> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875