Hosenkoside K - ≥98% , CAS No.160896-49-1

CAS: 160896-49-1 Cat. No.: H412879 Molecular Weight: 1141.29 PubChem CID: 102004887

GRADE & PURITY ≥98%

Synonyms

β-​D-​Glucopyranoside,(1R,​2S,​4aR,​4bR,​6'S,​6aR,​7R,​8S,​10aR,​10bR,​12aS)​-​7-​[(β-​D-​glucopyranosyloxy)​methyl]​-​6'-​[(1S)​-​2-​(β-​D-​glucopyranosyloxy)​-​1-​methylethyl]​octadecahydro-​1-​hydroxy-​4a,​4b,​7,​10a-​tetramethylspiro[chr​ysene-​2(1H)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Hosenkoside K is a bioactive baccharane glycoside isolated from the seeds of impatiens balsamina.

Specifications

Synonyms

β-​D-​Glucopyranoside, (1R, ​2S, ​4aR, ​4bR, ​6'S, ​6aR, ​7R, ​8S, ​10aR, ​10bR, ​12aS)​-​7-​[(β-​D-​glucopyranosyloxy)​methyl]​-​6'-​[(1S)​-​2-​(β-​D-​glucopyranosyloxy)​-​1-​methylethyl]​octadecahydro-​1-​hydroxy-​4a, ​4b, ​7, ​10a-​tetramethylspiro[chr​ysene-​2(1H)

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Hosenkoside K is a bioactive baccharane glycoside isolated from the seeds of impatiens balsamina.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Product Properties

• ALogP: -3.447
• HBD Count: 16
• Rotatable Bond: 15

Names and Identifiers

• Pubchem Sid: 504772786
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772786
• Canonical Smiles: CC(COC1C(C(C(C(O1)CO)O)O)O)C2CCC3(CCC4(C(C3O)CCC5C4(CCC6C5(CCC(C6(C)COC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)CO2
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S)-2-[(1R,2S,2'S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aS)-8-[(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-1-hydroxy-4a,4b,7,10a-tetramethyl-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1H-chrysene-2,5'-oxane]-2'-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: JWINIHBXRZXFKL-SGBJXWCQSA-N
• INCHI: 1S/C54H92O25/c1-23(20-71-46-41(67)37(63)33(59)26(16-55)74-46)25-8-13-54(22-72-25)15-14-52(4)24(45(54)70)6-7-31-50(2)11-10-32(51(3,30(50)9-12-53(31,52)5)21-73-47-42(68)38(64)34(60)27(17-56)75-47)78-49-44(40(66)36(62)29(19-58)77-49)79-48-43(69)39(65)35(61)28(18-57)76-48/h23-49,55-70H,6-22H2,1-5H3/t23-,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-,49-,50-,51-,52+,53+,54+/m0/s1
• Isomeric SMILES: C[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]2CC[C@@]3(CC[C@@]4([C@@H]([C@H]3O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H]([C@@]6(C)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)C)CO2
• PubChem CID: 102004887
• Molecular Weight: 1141.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Steroids and steroid derivatives O-glycosyl compounds Disaccharides Oxanes Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpenoid - Steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Cyclic alcohol - Secondary alcohol - Polyol - Ether - Acetal - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Primary alcohol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 100 mg/mL (87.62 mM); Water: 100 mg/mL (87.62 mM); Ethanol: 50 mg/mL (43.81 mM)
• DMSO(mg / mL) Max Solubility: 100
• DMSO(mM) Max Solubility: 87.6201491294938
• Water(mg / mL) Max Solubility: 100
• Water(mM) Max Solubility: 87.6201491294938
• Molecular Weight: 1141.300 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 15
• Exact Mass: 1140.59 Da
• Monoisotopic Mass: 1140.59 Da
• Topological Polar Surface Area: 407.000 Ų
• Heavy Atom Count: 79
• Formal Charge: 0
• Complexity: 2020.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 32
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1