Astragaloside III - Moligand™,≥98% , CAS No.84687-42-3

CAS: 84687-42-3 Cat. No.: A464162 Formule: C₄₁H₆₈O₁₄ Poids moléculaire: 784.97 PubChem CID: 441905

GRADE & PURITY Moligand™, ≥98%

Synonyms

DTXCID90282757 | (2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R)-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4,7-dihydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethylhexadecahydrocyclopenta[a]cyclopropa[e]phenanthren-9-yl)ox

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Astragaloside III is a triterpenoid saponin. Astragaloside III can be extracted from Astragalus root. Astragaloside III increases NKG2D and induces TACE phosphorylation. Astragaloside III induces Apoptosis. Astragaloside III has antiviral activity against dengue serotypes 1 and 3. Astragaloside III has anticancer activity against breast and colon cancer.

Specifications

Synonymes

DTXCID90282757 | (2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R)-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4,7-dihydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethylhexadecahydrocyclopenta[a]cyclopropa[e]phenanthren-9-yl)ox

Spécifications et pureté

Moligand™,≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)C

IUPAC Name

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

InChIKey

FVFSMBDVZVUETN-BQAOMNQWSA-N

INCHI

1S/C41H68O14/c1-35(2)24(53-34-30(26(46)21(45)17-51-34)54-33-29(49)28(48)27(47)22(16-42)52-33)9-11-41-18-40(41)13-12-37(5)32(39(7)10-8-25(55-39)36(3,4)50)20(44)15-38(37,6)23(40)14-19(43)31(35)41/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,37+,38-,39+,40-,41+/m0/s1

Isomères SMILES

C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O

PubChem CID

441905

Poids moléculaire

784.97

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 6-hydroxysteroids Disaccharides O-glycosyl compounds Oxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Dialkyl ethers Polyols Acetals Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cucurbitacin glycoside skeleton - Triterpene saponin - Triterpene glycoside - Cycloartanol-skeleton - 9b,19-cyclo-lanostane-skeleton - Cycloartane-skeleton - Triterpenoid - 16-hydroxysteroid - 16-beta-hydroxysteroid - Hydroxysteroid - 6-hydroxysteroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Dialkyl ether - Polyol - Ether - Alcohol - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: 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: Protostanes

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

Propriétés chimiques et physiques

• Poids moléculaire: 785.000 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 784.461 Da
• Monoisotopic Mass: 784.461 Da
• Topological Polar Surface Area: 228.000 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 1460.000
• 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