1.0 2010-04-08 22:10:52 UTC 2019-11-26 03:08:57 UTC FDB013730 Lansioside A Constituent of Lansium domesticum (langsat). Lansioside A is found in fruits. Lansiodide a Lansioside A C38H61NO8 659.8928 659.439717933 3-{2-[2-(6-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)ethyl]-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl}propanoic acid 3-{2-[2-(6-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl)ethyl]-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl}propanoic acid 82537-86-8 CC(=O)NC1C(O)C(O)C(CO)OC1OC1CCC2(C)C(CCC3C(C)=CCC(C(C)=C)C3(C)CCC(O)=O)C(=C)CCC2C1(C)C InChI=1S/C38H61NO8/c1-21(2)25-12-10-22(3)26(37(25,8)19-17-31(42)43)13-14-27-23(4)11-15-29-36(6,7)30(16-18-38(27,29)9)47-35-32(39-24(5)41)34(45)33(44)28(20-40)46-35/h10,25-30,32-35,40,44-45H,1,4,11-20H2,2-3,5-9H3,(H,39,41)(H,42,43) DPUBTAIUQYXFDA-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Acetamides Bicyclic monoterpenoids Carbonyl compounds Carboxylic acids Hexoses Hydrocarbon derivatives Menthane monoterpenoids Monocarboxylic acids and derivatives N-acyl-alpha-hexosamines O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetal Acetamide Alcohol Aliphatic heteropolycyclic compound Bicyclic monoterpenoid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide Monoterpenoid N-acyl-alpha-hexosamine O-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane P-menthane monoterpenoid Primary alcohol Secondary alcohol Secondary carboxylic acid amide Terpene glycoside logp 4.87 ALOGPS logs -5.03 ALOGPS solubility 6.09e-03 g/l ALOGPS melting_point Mp 174-175° logp 4.69 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -0.78 ChemAxon iupac 3-{2-[2-(6-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)ethyl]-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl}propanoic acid ChemAxon average_mass 659.8928 ChemAxon mono_mass 659.439717933 ChemAxon smiles CC(=O)NC1C(O)C(O)C(CO)OC1OC1CCC2(C)C(CCC3C(C)=CCC(C(C)=C)C3(C)CCC(O)=O)C(=C)CCC2C1(C)C ChemAxon formula C38H61NO8 ChemAxon inchi InChI=1S/C38H61NO8/c1-21(2)25-12-10-22(3)26(37(25,8)19-17-31(42)43)13-14-27-23(4)11-15-29-36(6,7)30(16-18-38(27,29)9)47-35-32(39-24(5)41)34(45)33(44)28(20-40)46-35/h10,25-30,32-35,40,44-45H,1,4,11-20H2,2-3,5-9H3,(H,39,41)(H,42,43) ChemAxon inchikey DPUBTAIUQYXFDA-UHFFFAOYSA-N ChemAxon polar_surface_area 145.55 ChemAxon refractivity 180.62 ChemAxon polarizability 74.29 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 65037 Specdb::MsMs 65038 Specdb::MsMs 65039 Specdb::MsMs 122352 Specdb::MsMs 122353 Specdb::MsMs 122354 Specdb::MsMs 2722896 Specdb::MsMs 2722897 Specdb::MsMs 2722898 Specdb::MsMs 2955210 Specdb::MsMs 2955211 Specdb::MsMs 2955212 Specdb::CMs 663276 Specdb::CMs 663277 Specdb::CMs 663278 Specdb::CMs 663279 Specdb::CMs 663280 Specdb::CMs 663281 Specdb::CMs 663282 Specdb::CMs 663283 Specdb::CMs 663284 Specdb::CMs 663285 Specdb::CMs 663286 Specdb::CMs 663287 Specdb::CMs 663288 Specdb::CMs 663289 Specdb::CMs 663290 Specdb::CMs 663291 Specdb::CMs 663292 Specdb::CMs 663293 Specdb::CMs 663294 Specdb::CMs 663295 Specdb::CMs 663296 Specdb::CMs 663297 Specdb::CMs 663298 Specdb::CMs 663299 Specdb::CMs 663300 HMDB35101 #<Reference:0x000055ce317031e0> Fruits Unknown generic