| 2D Structure | |
| CID | 14891565 |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-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 |
| InChI | InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,37+,38-,39-,40+,41+,42+/m0/s1 |
| InChI Key | WBQVRPYEEYUEBQ-OJVDLISWSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C42H62O17 |
| Molecular Weight | 838.9 |
| synonyms | ['Licoricesaponin G2', '118441-84-2', 'Licorice-saponin G2', '24-Hydroxyglycyrrhizin', 'Saponin G2, from licorice', 'UNII-3TOQ2I088A', '3TOQ2I088A', 'beta-D-Glucopyranosiduronic acid, (3beta,4beta,20beta)-20-carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-o-beta-D-glucopyranuronosyl-', 'RefChem:41318', '(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-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', 'Licorice saponin G2', 'C42H62O17', 'orb1684460', 'orb3139874', 'CHEMBL5276551', 'SCHEMBL29888755', 'CHEBI:184066', 'DTXSID101316120', 'GLXC-19347', 'HY-N6983', 'MSK160665', 'AKOS040760518', 'DA-75008', 'MS-31556', 'CS-0101426', 'E87119', 'F986937', 'Q27258017', '(2S,3S,4S,5R,6R)-6-(((2R,3R,4S,5S,6S)-6-carboxy-2-(((3S,4S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-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-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-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', '.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.BETA.,20.BETA.)-20-CARBOXY-23-HYDROXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-', '|A-D-Glucopyranosiduronic acid, (3|A,4|A,20|A)-20-carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-O-|A-D-glucopyranuronosyl-', '11-Oxo-3|A-[[2-O-(6-oxo-|A-D-glucopyranosyl)-6-oxo-|A-D-glucopyranosyl]oxy]-24-hydroxyolean-12-en-30-oic acid', '24,30-Dihydroxy-11,30-dioxoolean-12-en-3beta-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid'] |
From Pubchem