甘草皂苷G2(118441-84-2)名称与标识符
名称
英文别名:
Licoricesaponin G2;Glycyrrhiza Uralensis Fisch Polysaccharides;Licorice saponin G2;3TOQ2I088A;24-Hydroxyglycyrrhizin;UNII-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-;(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;CHEBI:184066;Saponin G2, from licorice;A-[[2-O-(6-oxo-;E87119;AKOS040760518;A-D-glucopyranosyl)-6-oxo-;CS-0101426;118441-84-2;MS-31556;11-Oxo-3;Licorice-saponin G2;DTXSID101316120;HY-N6983;A-D-glucopyranosyl]oxy]-24-hydroxyolean-12-en-30-oic 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-;Q27258017;11-Oxo-3beta-[[2-O-(6-oxo-beta-D-glucopyranosyl)-6-oxo-beta-D-glucopyranosyl]oxy]-24-hydroxyolean-12-en-30-oic acid;DA-75008;CHEMBL5276551;MSK160665;
标识符
InChIKey:
WBQVRPYEEYUEBQ-OJVDLISWSA-N
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
SMILES:
O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@@](C(=O)O)(C)C[C@H]5C4=CC([C@@H]32)=O)[C@@]1(C)CO