1.02010-04-08 22:15:15 UTC2019-11-26 03:19:26 UTCFDB020785Arjunolic acid 3-glucosideConstituent of Luffa cylindrica (smooth luffa). Arjunolic acid 3-glucoside is found in fruits.Arjunolic acid 3-glucosideArjunolic acid 3-O-b-D-glucopyranosideArjunolic acid 3-O-b-D-glucosideC36H58O10650.8397650.40299807611-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid99543-11-0CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=OInChI=1S/C36H58O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)ZOUJKJNUAOXJGL-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.Triterpene saponinsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTerpene glycosidesAliphatic heteropolycyclic compounds12-hydroxysteroidsAcetalsCarbonyl compoundsCarboxylic acidsCyclic alcohols and derivativesFatty acyl glycosides of mono- and disaccharidesHexosesHydrocarbon derivativesMonocarboxylic acids and derivativesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcoholsTriterpenoids12-hydroxysteroidAcetalAlcoholAliphatic heteropolycyclic compoundCarbonyl groupCarboxylic acidCarboxylic acid derivativeCyclic alcoholFatty acylFatty acyl glycosideFatty acyl glycoside of mono- or disaccharideGlycosyl compoundHexose monosaccharideHydrocarbon derivativeHydroxysteroidMonocarboxylic acid or derivativesMonosaccharideO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePolyolPrimary alcoholSecondary alcoholSteroidTriterpene saponinTriterpenoidlogp2.97logs-3.93solubility7.72e-02 g/llogp2.47pka_strongest_acidic4.74pka_strongest_basic-2.8iupac11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidaverage_mass650.8397mono_mass650.402998076smilesCC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=OformulaC36H58O10inchiInChI=1S/C36H58O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)inchikeyZOUJKJNUAOXJGL-UHFFFAOYSA-Npolar_surface_area177.14refractivity169.17polarizability72.93rotatable_bond_count5acceptor_count10donor_count7physiological_charge-1formal_charge0Specdb::CMs644311Specdb::CMs644312Specdb::CMs644313Specdb::CMs644314Specdb::CMs644315Specdb::CMs644316Specdb::CMs644317Specdb::CMs644318Specdb::CMs644319Specdb::CMs644320Specdb::CMs644321Specdb::CMs644322Specdb::CMs644323Specdb::CMs644324Specdb::CMs644325Specdb::CMs644326Specdb::CMs644327Specdb::CMs644328Specdb::CMs644329Specdb::CMs644330Specdb::CMs644331Specdb::CMs644332Specdb::CMs644333Specdb::CMs644334Specdb::CMs644335Specdb::MsMs7166Specdb::MsMs7167Specdb::MsMs7168Specdb::MsMs13838Specdb::MsMs13839Specdb::MsMs13840Specdb::MsMs2282218Specdb::MsMs2282219Specdb::MsMs2282220Specdb::MsMs3086071Specdb::MsMs3086072Specdb::MsMs3086073HMDB40941#<Reference:0x0000555676103840>FruitsUnknowngeneric