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Name	Daucosterol	EINECS	1592732-453-0
CAS No.	474-58-8	Density	1.13 g/cm³
PSA	99.38000	LogP	5.84900
Solubility	N/A	Melting Point	283～286℃
Formula	C₃₅H₆₀O₆	Boiling Point	673.6 °C at 760 mmHg
Molecular Weight	576.858	Flash Point	361.2 °C
Transport Information	N/A	Appearance	off white powder
Safety	24/25	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Daucosterin(6CI);Stigmast-5-ene, 3b-(b-D-glucopyranosyloxy)- (8CI);(-)-b-Sitosterolglucoside;(-)-b-Sitosterolb-D-glucopyranoside;1513DMIa;3-(b-D-Glucopyranosyloxy)stigmast-5-ene;3-O-b-D-Glucopyranosyl-b-sitosterol;3-O-b-D-Glucopyranosylsitosterol;3-O-b-D-Glucosyl-b-sitosterol;3b-D-Glucosyl-b-sitosterol;AW 10;Alexandrin;BSSG;Coriandrinol;Daucosterol;Doursterol;EU 4906;Eleutheroside A;NSC165962;Sitogluside;Sitosterol 3-O-b-D-glucopyranoside;Sitosterol D-glucoside;Sitosterolglucoside;Sitosterol-3-O-b-glucoside;Sitosteryl 3b-glucoside;Sitosteryl b-D-glucopyranoside;Sterolin;Stigmast-5-en-3-b-glucopyranoside;Stigmast-5-en-3b-yl b-D-glucopyranoside;Stigmast-5-ene, 3-(b-D-glucopyranosyloxy)-, (3b)-;WA 184;b-Daucosterin;b-Daucosterol;b-Sitosterol 3-O-D-glucoside;b-Sitosterol 3-O-glucoside;b-Sitosterol 3-O-b-D-glucopyranoside;b-Sitosterol 3-O-b-D-glucoside;b-Sitosterol 3-b-D-glucopyranoside;b-Sitosterol D-glucopyranoside;b-Sitosterol D-glucoside;b-Sitosterol O-glucoside;b-Sitosterol O-b-D-glucoside;b-Sitosterol glucopyranoside;b-Sitosterol glucoside;b-Sitosterol monoglucoside;b-Sitosterol b-D-glucopyranoside;b-Sitosterol b-D-glucoside;b-Sitosterol b-D-glycopyranoside;b-Sitosterol b-glucopyranoside;b-Sitosterol b-glucoside;b-Sitosterol-3-glucoside;b-Sitosteryl 3-O-b-D-glucopyranoside;b-Sitosteryl 3-O-b-D-glucoside;b-Sitosteryl 3-glucoside;b-Sitosteryl 3-b-D-glucoside;b-Sitosteryl glucoside;b-Sitosteryl b-D-glucopyranoside;b-Sitosteryl b-D-glucoside;	Article Data	2

Daucosterol Specification

The Daucosterol, with the CAS registry number 474-58-8, is also known as (3-beta)-Stigmast-5-en-3-yl-beta-D-glucopyranoside. It belongs to the product category of Miscellaneous Natural Products. This chemical's molecular formula is C₃₅H₆₀O₆ and molecular weight is 576.85. Its IUPAC name is called (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. This chemical's classification codes are Antiprostatic hypertrophy; Drug/Therapeutic Agent; Natural Product. It is off white powder.

Physical properties about this chemical are: (1)ACD/LogP: 8.78; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.78; (4)ACD/LogD (pH 7.4): 8.78; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1422073.88; (8)ACD/KOC (pH 7.4): 1422064.5; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 13; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 162.93 cm³; (14)Molar Volume: 508.7 cm³; (15)Surface Tension: 48.6 dyne/cm; (16)Density: 1.13 g/cm³; (17)Flash Point: 361.2 °C; (18)Enthalpy of Vaporization: 113.2 kJ/mol; (19)Boiling Point: 673.6 °C at 760 mmHg; (20)Vapour Pressure: 4.95E-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O([C@H]4CC[C@]2(C(=C/C[C@H]1[C@@H]3CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]3(C)CC[C@@H]12)\C4)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
(2)InChI: InChI=1/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
(3)InChIKey: NPJICTMALKLTFW-OFUAXYCQBI

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	62mg/kg (62mg/kg)		Indian Journal of Pharmacy. Vol. 29, Pg. 91, 1967.

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