Compound: Daucosterol
SMILES: O1[C@@H](O[C@@H]2CC3=CC[C@H]4[C@H]5[C@]([C@@H]([C@@H](CC[C@H](C(C)C)CC)C)CC5)(C)CC[C@@H]4[C@@]3(C)CC2)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
InChIKey: NPJICTMALKLTFW-OFUAXYCQSA-N
Synonyms: Daucosterol, Sitogluside, 474-58-8, Eleutheroside A, Daucosterin, Alexandrin, Coriandrinol, beta-Sitosterol glucoside, Doursterol, BSSG, Sterolin, Sitoglusidum, beta-Daucosterol, Sitoglusido, beta-Sitosteryl glucoside, Daucosterine, WA 184, EU-4906, Sitosteryl glycoside, AW 10, Sitosterol D-glucoside, NSC-165962, BSS-G, beta-Sitosterol monoglucoside, UNII-U45VN859W3, AW-10, U45VN859W3, WA-184, beta-Sitosterol D-glucoside, NSC 165962, BRN 4359450, beta-SITOSTEROL-GLUCOSIDE, CHEBI:67554, RefChem:6228, BETA-SITOSTEROL GLUCOSIDE (DAUCOSTEROL) (CONSTITUENT OF STINGING NETTLE), (3beta)-stigmast-5-en-3-yl beta-D-glucopyranoside, MFCD01683621, Sitogluside (USAN/INN), 3-beta-(beta-D-Glucopyranosyloxy)stigmast-5-ene, .beta.-sitosterol-glucoside, CHEMBL506678, 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-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, (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, beta-Sitosterol beta-D-Glucoside, NSC165962, (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, Beta-Sitosterol-3-O-Beta-D-glucopyranoside, beta-sitosterol-d-glucoside, b-Sitosterol b-D-glucoside, C35H60O6, AC1NX3NW, Sitogluside [USAN:INN], Sitoglusidum [INN-Latin], Sitoglusido [INN-Spanish], daucesterol, daucossterol, beta-sitosterol-3-O-beta-d-glucoside, CID5742590, EU 4906, SITOGLUSIDE [INN], O-glucosyl-beta-sitosterol, SITOGLUSIDE [USAN], SureCN137210, 3beta-(beta-D-Glucopyranosyloxy)stigmast-5-ene, beta-sitosteryl-D-glucoside, ?-Sitosterol ?-D-glucoside, Ambap474-58-8, beta-sitosterin-3-O-glucoside, beta-sitosterol glucopyranoside, beta-sitosterol-3-O-glucoside, beta-sitosteryl glucopyranoside, SCHEMBL137210, sitosteryl 3-beta-D-glucoside, (3-beta)-Stigmast-5-en-3-yl-beta-D-glucopyranoside, orb1303631, orb3139355, beta-sitosteroyl-beta-D-glucoside, WLZ4086, DTXSID301045674, beta-sitosterol-3-O-glucopyranoside, HY-N0410, 3-O-beta-D-glucosyl-beta-sitosterol, BDBM50257635, beta-sitosterol 3-O-beta-D-glucoside, beta-sitosterol-beta-D-glucopyranoside, AKOS032962016, sitosterol 3-O-beta-D-glucopyranoside, CS-5421, EBC-616222, MS12901, beta-sitosterol-3-O-beta-glucopyranoside, Eleutheroside A;-Sitosterol -D-glucoside, (2R,3R,4S,5S,6R)-2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol, DA-52322, MS-30381, beta-sitosteryl-3-O-beta-D-glucopyranoside, FT-0686600, NS00123835, .BETA.-SITOSTEROL-.BETA.-D-GLUCOSIDE, C20785, SITOSTEROL 3-O-.BETA.-D-GLUCOPYRANOSIDE, (3|_)-Stigmast-5-en-3-yl |_-D-glucopyranoside, (3|A)-Stigmast-5-en-3-yl |A-D-glucopyranoside, C011015, Stigmast-5-ene, 3-beta-(beta-D-glucopyranosyloxy)-, beta-D-Glucopyranoside, (3beta)-stigmast-5-en-3-yl, BRD-K14276241-001-01-2, 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
Theoretical properties:
molecular_formula: C35H60O6
molecular_weight: 576.8 g/mol
exact_mass: 576.43898963 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 9
heavy_atom_count: 41
topological_polar_surface_area: 99.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Daucosterol is a steroid saponin that is sitosterol attached to a beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has bee isolated from Panax japonicus var. major and Breynia fruticosa. It has a role as a plant metabolite. It is a beta-D-glucoside, a steroid saponin and a monosaccharide derivative. It is functionally related to a sitosterol. It derives from a hydride of a stigmastane.
chebi: A steroid saponin that is sitosterol attached to a β-<small>D</small>-glucopyranosyl residue at position 3 via a glycosidic linkage. It has bee isolated from <em>Panax japonicus</em> var. <em>major</em> and <em>Breynia fruticosa</em>.
chembl: SITOGLUSIDE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Daucosterol (eleutheroside A) is a natural phytosterol-like compound.  It is the glucoside of β-sitosterol.