Hosenkoside A - ≥96% , CAS No.156791-82-1

CAS: 156791-82-1 Cat. No.: H412893 Peso molecular: 979.15 PubChem CID: 102004530

GRADE & PURITY ≥96%

Synonyms

β-​D-​Glucopyranoside,(1R,​2S,​4aR,​4bR,​6'S,​6aR,​7R,​8S,​10aR,​10bR,​12aS)​-​7-​[(β-​D-​glucopyranosyloxy)​methyl]​octadecahydro-​1-​hydroxy-​6'-​[(1S)​-​2-​hydroxy-​1-​methylethyl]​-​4a,​4b,​7,​10a-​tetramethylspiro[chr​ysene-​2(1H)​,​3'(4'H)​-​[2H]​p

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

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

Specifications

Sinónimos

β-​D-​Glucopyranoside, (1R, ​2S, ​4aR, ​4bR, ​6'S, ​6aR, ​7R, ​8S, ​10aR, ​10bR, ​12aS)​-​7-​[(β-​D-​glucopyranosyloxy)​methyl]​octadecahydro-​1-​hydroxy-​6'-​[(1S)​-​2-​hydroxy-​1-​methylethyl]​-​4a, ​4b, ​7, ​10a-​tetramethylspiro[chr​ysene-​2(1H)​, ​3'(4'H)​-​[2H]​p

Especificaciones y pureza

≥96%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Propiedades del producto

• ALogP: -1.7
• Recuento HBD: 13
• Enlace rotable: 12

Nombres e identificadores

• Pubchem Sid: 488202599
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202599
• Sonrisas canónicas: CC(CO)C1CCC2(CCC3(C(C2O)CCC4C3(CCC5C4(CCC(C5(C)COC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)CO1
• 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
• InChIKey: JUKFJOYCFLIWIA-MDQYKXRHSA-N
• 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
• Isómeros 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
• PubChem CID: 102004530
• Peso molecular: 979.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 100 mg/mL (102.12 mM)
• DMSO (mg/ml) Solubilidad máxima: 100
• DMSO (mM) Solubilidad máxima: 102.129397947199
• Agua (mg/ml) Solubilidad máxima: -1
• Peso molecular: 979.200 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 12
• Exact Mass: 978.54 Da
• Monoisotopic Mass: 978.54 Da
• Topological Polar Surface Area: 328.000 Ų
• Heavy Atom Count: 68
• Formal Charge: 0
• Complexity: 1700.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 27
• 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