| 2D Structure | |
| CID | 5742590 |
| Target | GSK3B , PRKAA1 , PRKAA2 , PRKAB1 , PRKAB2 , PRKAG1 , PRKAG2 , PRKAG3 |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI | InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 |
| InChI Key | NPJICTMALKLTFW-OFUAXYCQSA-N |
| Canonical SMILES | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
| Isomeric SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C |
| Molecular Formula | C35H60O6 |
| Molecular Weight | 576.8 |
| synonyms | ['Daucosterol', 'Sitogluside', '474-58-8', 'Eleutheroside A', 'Alexandrin', 'Daucosterin', 'Coriandrinol', 'beta-Sitosterol glucoside', 'BSSG', 'Doursterol', 'Sitoglusidum', 'Sterolin', 'Sitoglusido', 'Daucosterine', 'WA 184', 'beta-Daucosterol', 'EU-4906', 'Sitosteryl glycoside', 'AW 10', 'Sitosterol D-glucoside', 'NSC-165962', 'BSS-G', 'beta-Sitosteryl glucoside', 'beta-Sitosterol monoglucoside', 'UNII-U45VN859W3', 'CHEBI:67554', 'AW-10', 'U45VN859W3', 'WA-184', 'beta-Sitosterol D-glucoside', 'NSC 165962', 'BRN 4359450', 'beta-SITOSTEROL-GLUCOSIDE', 'BETA-SITOSTEROL GLUCOSIDE (DAUCOSTEROL) (CONSTITUENT OF STINGING NETTLE)', '(3beta)-stigmast-5-en-3-yl beta-D-glucopyranoside', 'Sitogluside (USAN/INN)', '3-beta-(beta-D-Glucopyranosyloxy)stigmast-5-ene', 'beta-sitosteryl-beta-D-glucopyranoside', '.beta.-sitosterol-glucoside', 'CHEMBL506678', 'beta-Sitosterol beta-D-Glucoside', 'Sitosterol-3-O-beta-D-glucoside', '(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol', '.beta.-D-Glucopyranoside, (3.beta.)-stigmast-5-en-3-yl', 'beta-sitosterol 3-O-beta-D-glucopyranoside', '(-)-beta-Sitosterol-beta-D-glucopyranoside', 'D05848', '(2R,3R,4S,5S,6R)-2-(((3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-Ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol', 'NSC165962', 'sitosterol glucuronide', 'b-Sitosterol b-D-glucoside', 'AC1NX3NW', 'beta-sitosterol glucutonide', 'Sitogluside [USAN:INN]', 'Sitoglusidum [INN-Latin]', 'Sitoglusido [INN-Spanish]', 'beta-sitosterol-beta-D-glycoside', 'MFCD01683621', 'CID5742590', 'EU 4906', 'SITOGLUSIDE [INN]', 'O-glucosyl-beta-sitosterol', 'SITOGLUSIDE [USAN]', 'SureCN137210', '3beta-(beta-D-Glucopyranosyloxy)stigmast-5-ene', '?-Sitosterol ?-D-glucoside', 'Ambap474-58-8', 'C011015', 'SCHEMBL137210', 'sitosteryl 3-beta-D-glucoside', '(3-beta)-Stigmast-5-en-3-yl-beta-D-glucopyranoside', 'DTXSID301045674', 'HY-N0410', '3-O-beta-D-glucosyl-beta-sitosterol', 'BDBM50257635', 'beta-sitosterol 3-O-beta-D-glucoside', 'beta-sitosterol-beta-D-glucopyranoside', 'AKOS032962016', 'CS-5421', 'MS12901', 'Eleutheroside A;-Sitosterol -D-glucoside', 'DA-52322', 'MS-30381', 'FT-0686600', 'NS00123835', '.BETA.-SITOSTEROL-.BETA.-D-GLUCOSIDE', 'C20785', 'SITOSTEROL 3-O-.BETA.-D-GLUCOPYRANOSIDE', '(3|A)-Stigmast-5-en-3-yl |A-D-glucopyranoside', 'Stigmast-5-ene, 3-beta-(beta-D-glucopyranosyloxy)-', 'beta-D-Glucopyranoside, (3beta)-stigmast-5-en-3-yl', 'BRD-K14276241-001-01-2', 'Eleutheroside A; Doursterol; Sitogluside; Daucosterol', 'Q15410900', '3.BETA.-(.BETA.-D-GLUCOPYRANOSYLOXY)STIGMAST-5-ENE', 'BETA-SITOSTEROL GLUCOSIDE (DAUCOSTEROL) (CONSTITUENT OF STINGING NETTLE) [DSC]', '(2R,3R,4S,5S,6R)-2-((3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol', '(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol'] |
From Pubchem