Hosenkoside A - 10mM in DMSO , CAS No.156791-82-1

CAS: 156791-82-1 Cat. No.: H421877 Summenformel: C₄₈H₈₂O₂₀ Molekulargewicht: 979.15 PubChem CID: 102004530

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

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

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

-1.7

HBD-Zahl

13

Rotationsfähige Bindung

12

Namen und Kennungen

Pubchem Sid

528764838

Kanonisches Lächeln

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

Isomere 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

Molekulargewicht

979.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 100
• DMSO (mM) Maximale Löslichkeit: 102.129397947199
• Wasser (mg/ml) Maximale Löslichkeit: -1
• Molekulargewicht: 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