| 2D Structure | |
| CID | 14187172 |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-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/C48H72O21/c1-43(2)23-8-11-48(7)36(21(50)16-19-20-17-45(4,13-12-44(20,3)14-15-47(19,48)6)42(63)69-39-31(57)26(52)25(51)22(18-49)64-39)46(23,5)10-9-24(43)65-41-35(30(56)29(55)34(67-41)38(61)62)68-40-32(58)27(53)28(54)33(66-40)37(59)60/h16,20,22-36,39-41,49,51-58H,8-15,17-18H2,1-7H3,(H,59,60)(H,61,62)/t20-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,39-,40-,41+,44+,45-,46-,47+,48+/m0/s1 |
| InChI Key | HJFOOTRGDAPZMV-SMVKYPPISA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C48H72O21 |
| Molecular Weight | 985.1 |
| synonyms | ['Licoricesaponin A3', '118325-22-7', 'Licorice-saponin A3', 'UNII-88G00OJY89', '88G00OJY89', 'beta-D-Glucopyranosiduronic acid, (3beta,20beta)-29-(beta-D-glucopyranosyloxy)-11,29-dioxoolean-12-en-3-yl 2-o-beta-D-glucopyranuronosyl-', 'RefChem:42051', 'Licorice saponin A3', '(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-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', 'CHEMBL594996', 'orb1684461', 'SCHEMBL29889372', 'DTXSID001316022', 'HY-N6982', 'C48H72O21', 'AKOS040760517', 'DA-54918', 'MS-31837', 'CS-0101425', 'G16944', 'Q27269927', '.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.)-29-(.BETA.-D-GLUCOPYRANOSYLOXY)-11,29-DIOXOOLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-', '|A-D-Glucopyranosiduronic acid, (3|A,20|A)-29-(|A-D-glucopyranosyloxy)-11,29-dioxoolean-12-en-3-yl 2-O-|A-D-glucopyranuronosyl-', '1-O-{3beta-[(2-O-beta-D-Glucopyranuronosyl-beta-D-glucopyranuronosyl)oxy]-11,29-dioxoolean-12-en-29-yl}-beta-D-glucopyranose'] |
From Pubchem