1.02010-04-08 22:11:43 UTC2019-11-26 03:11:20 UTCFDB01523728-[Glucosyl-(1->6)-glucosyl]oleanolic acid 3-arabinosideConstituent of Aralia elata (Japanese angelica tree) and Decaisnea fargesii (blue sausagefruit). 28-[Glucosyl-(1->6)-glucosyl]oleanolic acid 3-arabinoside is found in fruits and green vegetables.28-[Glucosyl-(1->6)-glucosyl]oleanolic acid 3-arabinosideOleanolic acid 3-O-a-L-arabinopyranoside 28-O-[b-D-glucopyranosyl-(1->6)-b-D-glucopyranosyl] esterC47H76O17913.0961912.5082510063,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 2,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-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-carboxylate3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 2,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate120481-38-1CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OInChI=1S/C47H76O17/c1-42(2)14-16-47(41(58)64-40-37(57)34(54)32(52)26(62-40)21-60-38-36(56)33(53)31(51)25(19-48)61-38)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)63-39-35(55)30(50)24(49)20-59-39/h8,23-40,48-57H,9-21H2,1-7H3NFIQKUQYFSTGFU-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 compoundsAcetalsCarbonyl compoundsCarboxylic acid estersDisaccharidesHydrocarbon derivativesMonocarboxylic acids and derivativesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcoholsTriterpenoidsAcetalAlcoholAliphatic heteropolycyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDisaccharideGlycosyl compoundHydrocarbon derivativeMonocarboxylic acid or derivativesO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePolyolPrimary alcoholSecondary alcoholTriterpene saponinTriterpenoidlogp2.16logs-3.88solubility1.19e-01 g/lmelting_pointMp 227-230°logp1.42pka_strongest_acidic11.75pka_strongest_basic-3.6iupac3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 2,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-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-carboxylateaverage_mass913.0961mono_mass912.508251006smilesCC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OformulaC47H76O17inchiInChI=1S/C47H76O17/c1-42(2)14-16-47(41(58)64-40-37(57)34(54)32(52)26(62-40)21-60-38-36(56)33(53)31(51)25(19-48)61-38)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)63-39-35(55)30(50)24(49)20-59-39/h8,23-40,48-57H,9-21H2,1-7H3inchikeyNFIQKUQYFSTGFU-UHFFFAOYSA-Npolar_surface_area274.75refractivity224.92polarizability97.68rotatable_bond_count9acceptor_count16donor_count10physiological_charge0formal_charge0Specdb::MsMs8696Specdb::MsMs8697Specdb::MsMs8698Specdb::MsMs15368Specdb::MsMs15369Specdb::MsMs15370Specdb::MsMs2695266Specdb::MsMs2695267Specdb::MsMs2695268Specdb::MsMs2986516Specdb::MsMs2986517Specdb::MsMs2986518HMDB36362#<Reference:0x0000555675a6c450>FruitsUnknowngenericGreen vegetablesUnknowngeneric