| Phytochemical Name : Diammonium glycyrrhizinate |
| PCNDIDD0095 |
| Pubchem CID : 656656 |
| Molecular formula: C42H68N2O16 |
| Canonical SMILES : CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.N.N |
Synonymes : Diammonium glycyrrhizinate|79165-06-3|UNII-A9ZZD585U6|A9ZZD585U6|Glycyrrhizic acid, diammonium salt|18beta-Glycyrrhizic acid diammonium salt|53956-04-0|Glycyrrhizic acid ammonium salt|Diammonium glycyrrhizinate (JAN)|(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;azane|DIAMMONIUM GLYCYRRHIZINATE [JAN]|alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-, ammonium salt (1:2)|Diammonium glycyrrhizate|Diammonium Glycyrrhizinat|SCHEMBL1073342|DTXSID90229561|18A-DIAMMONIUMGLYCYRRHIZINATE|(+)-DIAMMONIUM GLYCYRRHIZINATE|AKOS040732195|DIAMMONIUM GLYCYRRHIZINATE [WHO-DD]|D02028|Q27273826|.ALPHA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.)-20-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-, AMMONIUM SALT (1:2) |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.220 |
| Log Po/w (XLOGP3) : 3.690 |
| Log Po/w (WLOGP) : 3.380 |
| Log Po/w (MLOGP) : 2.640 |
| Log Po/w (SILICOS-IT) : 4.050 |
| Consensus Log Po/w : 3.400 |