1.0 2010-04-08 22:11:56 UTC 2019-11-26 03:11:53 UTC FDB015582 Asiaticoside Constituent of Centella asiatica (Asiatic pennywort). Asiaticoside is found in herbs and spices and green vegetables. Asiaticosid Asiaticoside Blastoestimulina Blastostimulina Centelase Dermatologico Emdecassol FK 1080 Madecassol Marticassol C48H78O19 959.1215 958.513730314 6-({[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-carboxylate 6-({[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-carboxylate 16830-15-2 CC1CCC2(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)C1O InChI=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,9-19H2,1-7H3 WYQVAPGDARQUBT-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 saponins Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds 12-hydroxysteroids Acetals Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Triterpenoids 12-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Glycosyl compound Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Triterpene saponin Triterpenoid logp 0.73 ALOGPS logs -3.08 ALOGPS solubility 7.98e-01 g/l ALOGPS melting_point Mp 235-238° (230-233°) logp -0.54 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 6-({[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-carboxylate ChemAxon average_mass 959.1215 ChemAxon mono_mass 958.513730314 ChemAxon smiles CC1CCC2(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)C1O ChemAxon formula C48H78O19 ChemAxon inchi InChI=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,9-19H2,1-7H3 ChemAxon inchikey WYQVAPGDARQUBT-UHFFFAOYSA-N ChemAxon polar_surface_area 315.21 ChemAxon refractivity 232.55 ChemAxon polarizability 102.24 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 18 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11441 Specdb::MsMs 11442 Specdb::MsMs 11443 Specdb::MsMs 18113 Specdb::MsMs 18114 Specdb::MsMs 18115 Specdb::MsMs 2228046 Specdb::MsMs 2229100 Specdb::MsMs 2230332 Specdb::MsMs 2231420 Specdb::MsMs 2231496 Specdb::MsMs 2232717 Specdb::MsMs 2232799 Specdb::MsMs 2233049 Specdb::MsMs 2233748 Specdb::MsMs 2235179 Specdb::MsMs 2252430 Specdb::MsMs 2252693 Specdb::MsMs 2253778 Specdb::MsMs 2254045 Specdb::MsMs 2254531 Specdb::MsMs 2254741 Specdb::MsMs 2255846 Specdb::MsMs 2256054 Specdb::MsMs 2256457 Specdb::NmrOneD 136770 Specdb::NmrOneD 136771 Specdb::NmrOneD 136772 Specdb::NmrOneD 136773 Specdb::NmrOneD 136774 Specdb::NmrOneD 136775 Specdb::NmrOneD 136776 Specdb::NmrOneD 136777 Specdb::NmrOneD 136778 Specdb::NmrOneD 136779 Specdb::NmrOneD 136780 Specdb::NmrOneD 136781 Specdb::NmrOneD 136782 Specdb::NmrOneD 136783 Specdb::NmrOneD 136784 Specdb::NmrOneD 136785 Specdb::NmrOneD 136786 Specdb::NmrOneD 136787 Specdb::NmrOneD 136788 Specdb::NmrOneD 136789 HMDB36656 #<Reference:0x000055ce32822430> #<Reference:0x000055ce32822278> #<Reference:0x000055ce32822098> Green vegetables Unknown generic Herbs and Spices Unknown generic