Compound: Glycyrrhizic acid
SMILES: O=C1C=C2[C@](CC[C@@]3([C@H]2C[C@](C(=O)O)(C)CC3)C)(C)[C@]4([C@H]1[C@@]5([C@H](C([C@@H](O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]6O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]7O)O)O)CC5)(C)C)CC4)C)C
InChIKey: LPLVUJXQOOQHMX-QWBHMCJMSA-N
Synonyms: Glycyrrhizic acid, glycyrrhizin, Glycyrrhizinic acid, 1405-86-3, Glycyron, potenlini, beta-Glycyrrhizin, Glycyrrhetinic acid glycoside, Glizigen, 18beta-Glycyrrhizic acid, glycyrrhizate, 18-beta-Glycyrrhizic acid, Glycyrrizin, Rizinsan K2 A2 (free acid), HSDB 496, NSC-167409, NSC-234419, CHEBI:15939, EINECS 215-785-7, NSC 167409, NSC 234419, UNII-6FO62043WK, BRN 0077922, CCRIS 8444, DTXSID8047006, 6FO62043WK, 20beta-Carboxy-11-oxo-30-norolean-12-en-3beta-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid, DTXCID6027006, 4-18-00-05156 (Beilstein Handbook Reference), (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid, 30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid, alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuron osyl-, GLYCYRRHIZIN (II), GLYCYRRHIZIN [II], (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid, GLYCYRRHIZIC ACID (MART.), GLYCYRRHIZIC ACID [MART.], GLYCYRRHIZIC ACID (USP-RS), GLYCYRRHIZIC ACID [USP-RS], NSC167409, NSC234419, Acid, Glycyrrhizic, Acid, Glycyrrhizinic, RefChem:37949, alpha-D-glucopyranosiduronic acid, (3 beta,20 beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-, GLYCYRRHIZIC ACID (GLYCYRRHIZIN) (CONSTITUENT OF LICORICE), (3beta,20beta)-20-Carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-1-7-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid, 20BETA-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3BETA-YL-2-O-BE TA-D-GLUCOPYRANURONOSYL-ALPHA-D-GLUCOPYRANOSIDURONIC ACID, 215-785-7, alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-1-7-glucopyranuronosyl-, glyzyrrhizin, Glycyrrhizin [JAN], MFCD00065194, .beta.-glycyrrhizin, 18.beta.-glycyrrhizic acid, Glycyrrhizinate, CHEMBL441687, C42H62O16, (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, (2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-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}-5-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid, Glycyrrhizicacid, Neo-Umor, alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-, (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid, CAS-1405-86-3, glycyrrhiza acid, Glycyrrhizic?acid, Glycyrrhizic acid?, NCGC00183128-01, (3b,20b)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-(b-D-glucopyranuronosyl)-b-D-glucopyranosiduronic acid, GM-1292, ammonium-glycyrrhizinate, Glycyrrhizic acid, 2K, beta-Glycyrrhizinic acid, Glycyrrhizic acid - 80%, Glycyrrhizic acid - 98%, GLYCYRRHIZIN [HSDB], Epitope ID:2138075, SCHEMBL17684, BIDD:ER0363, GLYCYRRHIZIC ACID [MI], GTPL4688, orb1305086, orb3139870, Glycyrrhizin (Glycyrrhizic Acid), GLYCYRRHIZIC ACID [WHO-DD], HY-N0184, MSK40365, Tox21_111520, Tox21_113426, Tox21_303493, BDBM50185127, EBC-17181, HMDB:0029843, s2302, AKOS015893086, AKOS015969345, CCG-270511, CS-7695, DB13751, OG08293, NCGC00257455-01, NCGC00386162-01, NCGC00386162-02, (3beta,20beta)-20-Carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-1- 7-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid, alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-1- 7-glucopyranuronosyl-, AS-13001, E958, SY017548, XG180042, G0150, NS00008393, AB01566834_01, EN300-25023649, Q418705, BRD-K83486494-318-01-5, GLYCYRRHIZIC ACID (GLYCYRRHIZIN) (CONSTITUENT OF LICORICE) [DSC], Glycyrrhizic acid, United States Pharmacopeia (USP) Reference Standard, 3-O-(2-O-b-D-Glucopyran uronosyl-a-D-glucopyranuronosyl)-18-b-glycyrrhetinic acid, Glycyrrhizic Acid, Pharmaceutical Secondary Standard; Certified Reference Material, (2S,3S,4S,5R,6R)-6-(((2S,3R,4S,5S,6S)-6-carboxy-2-(((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-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)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid, (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylicacid, (3.beta.,20.beta.)-20-Carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-.beta.-1- 7-glucopyranuronosyl-.alpha.-D-glucopyranosiduronic acid, (3.BETA.,20.BETA.)-20-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-.ALPHA.-D-GLUCOPYRANOSIDURONIC ACID, 30-hydroxy-11,30-dioxoolean-12-en-3beta-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid
Theoretical properties:
molecular_formula: C42H62O16
molecular_weight: 822.9 g/mol
exact_mass: 822.40378589 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 16
rotatable_bond_count: 7
heavy_atom_count: 58
topological_polar_surface_area: 267 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals from glacial acetic acid
color: Crystals from glacial acetic acid
boiling_point: Decomposes at 200 ºC
solubility: Easily soluble in hot water
Descriptions:
pubchem: Glycyrrhizinic acid is a triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid. It has a role as an EC 3.4.21.5 (thrombin) inhibitor and a plant metabolite. It is a glucosiduronic acid, a pentacyclic triterpenoid, a tricarboxylic acid, an enone and a triterpenoid saponin. It is a conjugate acid of a glycyrrhizinate(3-).
chebi: A  triterpenoid saponin that is the  glucosiduronide derivative of 3β-hydroxy-11-oxoolean-12-en-30-oic acid.
chembl: GLYCYRRHIZIN is a oligosaccharide listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Glycyrrhizin (glycyrrhizic acid  or glycyrrhizinic acid) is the chief sweet-tasting constituent of Glycyrrhiza glabra (liquorice) root. Structurally, it is a saponin used as an emulsifier and gel-forming agent in foodstuffs and cosmetics. Its aglycone is enoxolone.