Sitogluside

(2R,3R,4S,5S,6R)-2-[[(8S,9S,10R,13R,14S)-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

Also Known As: Sitogluside|Coriandrinol|Daucosterol|Alexandrin|Daucosterin|Doursterol|Lyoniside|Sterolin|Eleutheroside A|Sitosteryl glycoside|BSSG|Sitosterol D-glucoside|beta-Sitosterol glucoside|beta-Sitosteryl glucoside|Sitogluside [USAN:INN]|Sitoglusidum [INN-Latin]|Sitoglusido [INN-Spanish]|beta-Sitosterol monoglucoside|AW 10|KST-1A5124|WA 184|EU 4906|(17xi)-stigmast-5-en-3-yl|A-d-glucopyranoside|3beta-(beta-D-Glucopyranosyloxy)stigmast-5-ene|3-beta-(beta-D-Glucopyranosyloxy)stigmast-5-ene|Stigmast-5-ene, 3-beta-(beta-D-glucopyranosyloxy)-|(3-beta)-Stigmast-5-en-3-yl-beta-D-glucopyranoside|beta-D-Glucopyranoside, (3beta)-stigmast-5-en-3-yl|(2R,3R,4S,5S,6R)-2-[[(8S,9S,10R,13R,14S)-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|(2R,3R,4S,5S,6R)-2-[[(8S,9S,10R,13R,14S)-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

Molecular Formula	C35H60O6
Molecular Weight	576.43896 g/mol
LogP	5.85
Topological Polar Surface Area	99.38 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	576.43896
Heavy Atoms	41
Complexity	918.3

Chemical Identifiers

CAS Number	50464-77-2
SMILES	CC[C@H](CC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C