1.02010-04-08 22:11:56 UTC2019-11-26 03:11:53 UTCFDB015582AsiaticosideConstituent of Centella asiatica (Asiatic pennywort). Asiaticoside is found in herbs and spices and green vegetables.AsiaticosidAsiaticosideBlastoestimulinaBlastostimulinaCentelaseDermatologicoEmdecassolFK 1080MadecassolMarticassolC48H78O19959.1215958.5137303146-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylate16830-15-2CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OInChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3WYQVAPGDARQUBT-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 acid estersCyclic alcohols and derivativesHydrocarbon derivativesMonocarboxylic acids and derivativesO-glycosyl compoundsOligosaccharidesOrganic oxidesOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcoholsTriterpenoids12-hydroxysteroidAcetalAlcoholAliphatic heteropolycyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterCyclic alcoholGlycosyl compoundHydrocarbon derivativeHydroxysteroidMonocarboxylic acid or derivativesO-glycosyl compoundOligosaccharideOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePolyolPrimary alcoholSecondary alcoholSteroidTriterpene saponinTriterpenoidlogp0.73logs-3.08solubility7.98e-01 g/lmelting_pointMp 235-238° (230-233°)logp-0.54pka_strongest_acidic11.75pka_strongest_basic-3.6iupac6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateaverage_mass959.1215mono_mass958.513730314smilesCC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OformulaC48H78O19inchiInChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3inchikeyWYQVAPGDARQUBT-UHFFFAOYSA-Npolar_surface_area315.21refractivity232.55polarizability102.24rotatable_bond_count10acceptor_count18donor_count12physiological_charge0formal_charge0Specdb::NmrOneD136770Specdb::NmrOneD136771Specdb::NmrOneD136772Specdb::NmrOneD136773Specdb::NmrOneD136774Specdb::NmrOneD136775Specdb::NmrOneD136776Specdb::NmrOneD136777Specdb::NmrOneD136778Specdb::NmrOneD136779Specdb::NmrOneD136780Specdb::NmrOneD136781Specdb::NmrOneD136782Specdb::NmrOneD136783Specdb::NmrOneD136784Specdb::NmrOneD136785Specdb::NmrOneD136786Specdb::NmrOneD136787Specdb::NmrOneD136788Specdb::NmrOneD136789Specdb::MsMs11441Specdb::MsMs11442Specdb::MsMs11443Specdb::MsMs18113Specdb::MsMs18114Specdb::MsMs18115Specdb::MsMs2228046Specdb::MsMs2229100Specdb::MsMs2230332Specdb::MsMs2231420Specdb::MsMs2231496Specdb::MsMs2232717Specdb::MsMs2232799Specdb::MsMs2233049Specdb::MsMs2233748Specdb::MsMs2235179Specdb::MsMs2252430Specdb::MsMs2252693Specdb::MsMs2253778Specdb::MsMs2254045Specdb::MsMs2254531Specdb::MsMs2254741Specdb::MsMs2255846Specdb::MsMs2256054Specdb::MsMs2256457HMDB36656#<Reference:0x0000555676132910>#<Reference:0x00005556761326b8>#<Reference:0x0000555676132438>Green vegetablesUnknowngenericHerbs and SpicesUnknowngeneric