1.0 2010-04-08 22:04:50 UTC 2025-11-18 22:28:16 UTC FDB001129 Asiaticoside B Constituent of Centella asiatica (Asiatic pennywort). Asiaticoside B is found in herbs and spices and green vegetables. Asiaticoside B C48H78O20 975.1209 974.508644936 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 8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,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 8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate 125265-68-1 CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(O)C(C)(CO)C7C(O)CC6(C)C4(C)CC5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O InChI=1S/C48H78O20/c1-20-28(53)30(55)33(58)40(64-20)67-36-25(17-49)65-39(35(60)32(36)57)63-18-26-29(54)31(56)34(59)41(66-26)68-42(62)48-12-10-43(2,3)14-22(48)21-8-9-27-44(4)15-24(52)38(61)45(5,19-50)37(44)23(51)16-47(27,7)46(21,6)11-13-48/h8,20,22-41,49-61H,9-19H2,1-7H3 NNWMHSNRRWMMBI-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 7-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 7-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 0.12 ALOGPS logs -2.77 ALOGPS solubility 1.67e+00 g/l ALOGPS logp -1.8 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 8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,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 975.1209 ChemAxon mono_mass 974.508644936 ChemAxon smiles CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(O)C(C)(CO)C7C(O)CC6(C)C4(C)CC5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O ChemAxon formula C48H78O20 ChemAxon inchi InChI=1S/C48H78O20/c1-20-28(53)30(55)33(58)40(64-20)67-36-25(17-49)65-39(35(60)32(36)57)63-18-26-29(54)31(56)34(59)41(66-26)68-42(62)48-12-10-43(2,3)14-22(48)21-8-9-27-44(4)15-24(52)38(61)45(5,19-50)37(44)23(51)16-47(27,7)46(21,6)11-13-48/h8,20,22-41,49-61H,9-19H2,1-7H3 ChemAxon inchikey NNWMHSNRRWMMBI-UHFFFAOYSA-N ChemAxon polar_surface_area 335.44 ChemAxon refractivity 234.07 ChemAxon polarizability 103.21 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 19 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 159810 Specdb::NmrOneD 159811 Specdb::NmrOneD 159812 Specdb::NmrOneD 159813 Specdb::NmrOneD 159814 Specdb::NmrOneD 159815 Specdb::NmrOneD 159816 Specdb::NmrOneD 159817 Specdb::NmrOneD 159818 Specdb::NmrOneD 159819 Specdb::NmrOneD 159820 Specdb::NmrOneD 159821 Specdb::NmrOneD 159822 Specdb::NmrOneD 159823 Specdb::NmrOneD 159824 Specdb::NmrOneD 159825 Specdb::NmrOneD 159826 Specdb::NmrOneD 159827 Specdb::NmrOneD 159828 Specdb::NmrOneD 159829 Specdb::MsMs 9707 Specdb::MsMs 9708 Specdb::MsMs 9709 Specdb::MsMs 12656 Specdb::MsMs 12657 Specdb::MsMs 12658 Specdb::MsMs 16379 Specdb::MsMs 16380 Specdb::MsMs 16381 Specdb::MsMs 19328 Specdb::MsMs 19329 Specdb::MsMs 19330 Specdb::MsMs 2469610 Specdb::MsMs 2469611 Specdb::MsMs 2469612 Specdb::MsMs 2492051 Specdb::MsMs 2492052 Specdb::MsMs 2492053 HMDB29892 #<Reference:0x000055ce32c07320> Green vegetables Unknown generic Herbs and Spices Unknown generic