Isoastragaloside II - ≥98% , CAS No.86764-11-6

CAS: 86764-11-6 Cat. No.: I664385 Fórmula: C₄₃H₇₀O₁₅ Peso molecular: 827.01

GRADE & PURITY ≥98%

Synonyms

Astrasieversianin VII

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Isoastragaloside II is a type of astragaloside A, isolated from Astragalus membranaceus hairy root cultures.

Specifications

Sinónimos

Astrasieversianin VII

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CC(=O)OC1C(COC(C1O)OC2CCC34CC35CCC6(C(C(CC6(C5CC(C4C2(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)O)C8(CCC(O8)C(C)(C)O)C)C)O

IUPAC Name

[(2S,3R,4S,5R)-3,5-dihydroxy-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-4-yl] acetate

InChIKey

SMZYCXAYGPGYRS-NGTUZWGPSA-N

INCHI

1S/C43H70O15/c1-20(45)54-32-22(47)18-53-35(31(32)51)57-26-10-12-43-19-42(43)14-13-39(6)33(41(8)11-9-27(58-41)38(4,5)52)21(46)16-40(39,7)25(42)15-23(34(43)37(26,2)3)55-36-30(50)29(49)28(48)24(17-44)56-36/h21-36,44,46-52H,9-19H2,1-8H3/t21-,22+,23-,24+,25-,26-,27-,28+,29-,30+,31+,32-,33-,34-,35-,36+,39+,40-,41+,42-,43+/m0/s1

SMILES isoméricas

CC(=O)O[C@H]1[C@@H](CO[C@H]([C@@H]1O)O[C@H]2CC[C@]34C[C@]35CC[C@@]6([C@H]([C@H](C[C@]6([C@@H]5C[C@@H]([C@H]4C2(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)[C@]8(CC[C@H](O8)C(C)(C)O)C)C)O

Peso molecular

827.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Steroidal glycosides
        • Level5 Steroidal saponins
          • Level6 Cucurbitacin glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Steroidal glycosides
• Intermediate Tree Nodes: Steroidal saponins
• Direct Parent: Cucurbitacin glycosides
• Alternative Parents: Triterpene saponins Triterpenoids Cycloartanols and derivatives 16-beta-hydroxysteroids O-glycosyl compounds Oxanes Monosaccharides Tetrahydrofurans Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cucurbitacin glycoside skeleton - Triterpene saponin - Triterpene glycoside - Cycloartanol-skeleton - Triterpenoid - 9b,19-cyclo-lanostane-skeleton - Cycloartane-skeleton - 16-hydroxysteroid - 16-beta-hydroxysteroid - Hydroxysteroid - Glycosyl compound - O-glycosyl compound - Monosaccharide - Oxane - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Polyol - Primary alcohol - Alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus.
• 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

Propriedades químicas e físicas

• Sensibilidade: light sensitive
• Peso molecular: 827.000 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 9
• Exact Mass: 826.471 Da
• Monoisotopic Mass: 826.471 Da
• Topological Polar Surface Area: 234.000 Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 1580.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 21
• 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