1.0 2010-04-08 22:04:49 UTC 2025-11-18 22:27:42 UTC FDB001060 Glycyrrhizin Isolated from Glycyrrhiza glabra (liquorice). Nutriceutical with anticancer props. Glycyrrhizic acid is a triterpenoid saponin glycoside of glycyrrhetinic acid. It is the main sweet-tasting compound from liquorice root. It is 30–50 times as sweet as sucrose. Glycyrrhizin is found in herbs and spices and root vegetables. Beta-glycyrrhizin Dermacrin Glycyram Glycyron Glycyrrhetic acid 3-O-[b-D-glucuronopyranosyl-(1->2)-a-D-glucuronopyranoside] Glycyrrhitin Glycyrrhizin Glycyrrhizin, JAN Glycyrrhizinate Glycyrrhizinic acid Glycyrrizin C42H62O16 822.9321 822.403785936 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 glycyrrhizate 1405-86-3 CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O InChI=1S/C42H62O16/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) LPLVUJXQOOQHMX-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 Acetals Beta hydroxy acids and derivatives Carboxylic acids Cyclohexenones Disaccharides Hydrocarbon derivatives O-glucuronides O-glycosyl 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 oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Pyran Secondary alcohol Tricarboxylic acid or derivatives Triterpene saponin Triterpenoid logp 2.78 ALOGPS logs -4.18 ALOGPS solubility 5.45e-02 g/l ALOGPS melting_point Mp 220 approx.° logp 3.13 ChemAxon pka_strongest_acidic 2.96 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 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 822.9321 ChemAxon mono_mass 822.403785936 ChemAxon smiles CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O ChemAxon formula C42H62O16 ChemAxon inchi InChI=1S/C42H62O16/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) ChemAxon inchikey LPLVUJXQOOQHMX-UHFFFAOYSA-N 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 0 ChemAxon Specdb::MsMs 10844 Specdb::MsMs 10845 Specdb::MsMs 10846 Specdb::MsMs 17516 Specdb::MsMs 17517 Specdb::MsMs 17518 Specdb::MsMs 439740 Specdb::MsMs 439741 Specdb::MsMs 449842 Specdb::MsMs 449843 Specdb::MsMs 449844 Specdb::MsMs 449845 Specdb::MsMs 449846 Specdb::MsMs 449847 Specdb::MsMs 449848 Specdb::MsMs 449849 Specdb::MsMs 449850 Specdb::MsMs 2226182 Specdb::MsMs 2226229 Specdb::MsMs 2226242 Specdb::MsMs 2226278 Specdb::MsMs 2226311 Specdb::MsMs 2228417 Specdb::MsMs 2228445 Specdb::MsMs 2228446 HMDB0029843 15939 Herbs and Spices Unknown generic Liquorice Type 2 specific Root vegetables Unknown generic mild spicy