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

CAS: 156791-82-1 Cat. No.: H412893 분자식: C₄₈H₈₂O₂₀ 분자량: 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

개요

Information

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

Specifications

동의어

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

사양 및 순도

≥96%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥96%

제품 특성

ALogP

-1.7

HBD 수

13

회전 가능한 결합

12

이름과 식별자

Pubchem Sid

488202599

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202599

정식 스마일

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

이성체 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

분자량

979.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 100 mg/mL (102.12 mM)
• DMSO(mg/mL) 최대 용해도: 100
• DMSO(mM) 최대 용해도: 102.129397947199
• 물(mg/mL) 최대 용해도: -1
• 분자량: 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 156791-82-1, the molecular formula is C48H82O20, and the molecular weight is 979.15 g/mol. InChIKey JUKFJOYCFLIWIA-MDQYKXRHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.