1.0 2010-04-08 22:04:49 UTC 2025-11-18 22:27:43 UTC FDB001061 Glyciram Nonnutritive sweetener and flavour enhancer Ammoniated glycyrrhizin Ammonium glycyrrhizate Ammonium glycyrrhizinate Chiyorhizin AN FEMA 2528 Glycamil Glyciram Glycyron No.1 (TN) Glycyrram Glycyrrhizic acid, ammonium salt Glycyrrhizic acid, monoammonium salt Glycyrrhizin, ammoniated Glycyrrhizinic acid, ammonium salt (1:1) Monoammonium glycyrrhizate Monoammonium glycyrrhizinate Rizinsan A C42H66NO16 840.9705 840.438160069 ammonium 5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4-dihydroxyoxane-2-carboxylic acid ammonium ammonium glycyrrhizate 53956-04-0 [NH4+].CC12CCC(C)(CC1C1=CC(=O)C3C4(C)CCC(OC5OC(C(O)C(O)C5OC5OC(C(O)C(O)C5O)C(O)=O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2)C(O)=O InChI=1S/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3/p+1 ILRKKHJEINIICQ-UHFFFAOYSA-O 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 Acetals Beta hydroxy acids and derivatives Carboxylic acids Cyclohexenones Disaccharides Hydrocarbon derivatives O-glucuronides O-glycosyl compounds Organic cations Organic nitrogen compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols Tricarboxylic acids and derivatives Triterpenoids 1-o-glucuronide Acetal Alcohol Aliphatic heteropolycyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclohexenone Disaccharide Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative Hydroxy acid Ketone O-glucuronide O-glycosyl compound Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Pyran Secondary alcohol Tricarboxylic acid or derivatives Triterpene saponin Triterpenoid melting_point 209 oC logp 3.13 ChemAxon pka_strongest_acidic 2.96 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac ammonium 5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4-dihydroxyoxane-2-carboxylic acid ChemAxon average_mass 840.9705 ChemAxon mono_mass 840.438160069 ChemAxon smiles [NH4+].CC12CCC(C)(CC1C1=CC(=O)C3C4(C)CCC(OC5OC(C(O)C(O)C5OC5OC(C(O)C(O)C5O)C(O)=O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2)C(O)=O ChemAxon formula C42H66NO16 ChemAxon inchi InChI=1S/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3/p+1 ChemAxon inchikey ILRKKHJEINIICQ-UHFFFAOYSA-O ChemAxon polar_surface_area 267.04 ChemAxon refractivity 198.83 ChemAxon polarizability 86.97 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 8 ChemAxon physiological_charge -3 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 318481 Specdb::MsMs 318482 Specdb::MsMs 318483 HMDB29844 bland