b-Sitosterol b-D-Glucoside

CAT: 0572-TRC-S497010-25MGSize: 25 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-S497010-25MGSize:25 mg

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CAS Number

474-58-8

Hazard Statement

No Data Available

Purity

>95% (HPLC)

Smiles

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)C

Molecular Formula

C35 H60 O6

Molecular Weight

576.85

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

Additionnal Information

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

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Sitogluside

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.

CAS Number	474-58-8
PubChem CID	5742590
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
Molecular Formula	C35H60O6
Molecular Weight	576.8
XLogP	7.7
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	41
Formal Charge	0
Complexity	920

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

InChI

InChIKey

NPJICTMALKLTFW-OFUAXYCQSA-N

Chemical Structure

2D Structure

CAS: 474-58-8

CID: 5742590

Formula: C35H60O6

MW: 576.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	576.8
XLogP3	7.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	576.43898963
Monoisotopic Mass	576.43898963
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	920
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
294619-01	B-Sitosterol b-D-glucoside
MS12901-01	β-Sitosterol β-D-glucoside
MS07271-01	B-Sitosterol b-D-glucuronide methyl ester
FS29792-01	B-Sitosterol - 80%
289086-01	B-Sitosterol ≥40%
FS16412-01	B-Sitosterol - 40%
289301-01	B-Sitosterol ≥80%
Y46361003	b-D-Glucoside glycohydrolase
MG15594-01	Geranyl b-D-glucoside
T126225	Isopentyl b-D-glucoside

b-Sitosterol b-D-Glucoside

Chemical Information

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