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Hosenkoside A (Standard)

CAT: 0804-HY-N2249RSize: 1 EachDry Ice: NoHazardous: No
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Description
Hosenkoside A (Standard) is the analytical standard of Hosenkoside A. This product is intended for research and analytical applications. Hosenkoside A is a baccharane glycoside isolated from the seeds of impatiens balsamina.
CAS Number
156791-82-1
UNSPSC
12352005
Target
Others; Reference Standards
Type
Reference Standards
Related Pathways
Others
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/hosenkoside-a-standard.html
Smiles
C[C@@]([C@@]1(CC[C@@]23CC[C@]([C@@H](C)CO)([H])OC3)C)(CC[C@@]4([H])[C@]5(C)CO[C@@H]([C@@H]([C@@H](O)[C@@H]6O)O)O[C@@H]6CO)[C@@](CC[C@]1([H])[C@H]2O)([H])[C@]4(CC[C@@H]5O[C@@](O[C@H](CO)[C@@H](O)[C@@H]7O)([H])[C@@H]7O[C@]([C@@H]([C@@H](O)[C@@H]8O)O)([H])O[C@@H]8CO)C
Molecular Formula
C48H82O20
Molecular Weight
979.15
References & Citations
[1]Yu X, et al. An LC-MS/MS method for simultaneous determination of hosenkoside A and hosenkoside K from Semen Impatientis in rat plasma and its application to a pharmacokinetic study. Biomed Chromatogr. 2017 Mar;31 (3) .
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Hosenkoside A

Hosenkoside A has been reported in Impatiens balsamina with data available.

CAS Number156791-82-1
PubChem CID102004530
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(1R,2S,2'S,4aR,4bR,6aS,7R,8S,10aR,10bR,12aR)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2'-[(2S)-1-hydroxypropan-2-yl]-1,4a,10a,10b-tetramethylspiro[3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysene-8,5'-oxane]-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC48H82O20
Molecular Weight979.2
XLogP0.2
Topological Polar Surface Area328
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count20
Rotatable Bond Count12
Heavy Atom Count68
Formal Charge0
Complexity1700
SMILES
C[C@@H](CO)[C@@H]1CC[C@@]2(CC[C@@]3([C@@H]([C@H]2O)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)CO1
InChI
InChI=1S/C48H82O20/c1-22(16-49)24-8-13-48(21-62-24)15-14-46(4)23(40(48)61)6-7-29-44(2)11-10-30(45(3,28(44)9-12-47(29,46)5)20-63-41-37(59)34(56)31(53)25(17-50)64-41)67-43-39(36(58)33(55)27(19-52)66-43)68-42-38(60)35(57)32(54)26(18-51)65-42/h22-43,49-61H,6-21H2,1-5H3/t22-,23+,24-,25+,26+,27+,28+,29+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,46+,47+,48+/m0/s1
InChIKey
JUKFJOYCFLIWIA-MDQYKXRHSA-N
Chemical Structure
2D Structure
2D structure of Hosenkoside A
CAS: 156791-82-1
CID: 102004530
Formula: C48H82O20
MW: 979.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight979.2
XLogP30.2
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count20
Rotatable Bond Count12
Exact Mass978.53994500
Monoisotopic Mass978.53994500
Topological Polar Surface Area328 Ų
Heavy Atom Count68
Formal Charge0
Complexity1700
Isotope Atom Count0
Defined Atom Stereocenter Count27
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes