Deapioplatycodin D - ≥97% , CAS No.78763-58-3

CAS: 78763-58-3 Cat. No.: D647591 Fórmula: C₅₂H₈₄O₂₄ Peso molecular: 1093.21 Número EC: 813-722-3 PubChem CID: 70698266

CALIDAD & PUREZA ≥97%

Synonyms

DESAPIOPLATYCODIN D | HY-N0588 | Deapi-platycodin D | Deapioplatycodin D | Deapio-platycodin D | MFCD21364037 | Deapio-platycodin-D,Deapi-platycodin D,Deapioplatycodin D,Desapioplatycodin D | AKOS037514623 | DTXSID701316009 | DesapioplatycodinD | MS-31954

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Deapioplatycodin D is a triterpenoid saponin isolated from Platycodon grandiflorum , with anti-HCV activity.

Form:Solid

Especificaciones

Sinónimos

DESAPIOPLATYCODIN D | HY-N0588 | Deapi-platycodin D | Deapioplatycodin D | Deapio-platycodin D | MFCD21364037 | Deapio-platycodin-D,Deapi-platycodin D,Deapioplatycodin D,Desapioplatycodin D | AKOS037514623 | DTXSID701316009 | DesapioplatycodinD | MS-31954

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

Deapioplatycodin D is a triterpenoid saponin isolated from Platycodon grandiflorum , with anti-HCV activity.

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.

Tipo de acción

INHIBITOR

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(CO)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O

IUPAC Name

[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

InChIKey

HCKUIVZXCXTBEH-PSRBGVDOSA-N

INCHI

1S/C52H84O24/c1-21-39(73-42-36(65)31(60)25(57)17-69-42)35(64)38(67)43(71-21)74-40-32(61)26(58)18-70-45(40)76-46(68)52-12-11-47(2,3)13-23(52)22-7-8-28-48(4)14-24(56)41(75-44-37(66)34(63)33(62)27(16-53)72-44)51(19-54,20-55)29(48)9-10-49(28,5)50(22,6)15-30(52)59/h7,21,23-45,53-67H,8-20H2,1-6H3/t21-,23-,24-,25+,26-,27+,28+,29+,30+,31-,32-,33+,34-,35-,36+,37+,38+,39-,40+,41-,42-,43-,44-,45-,48+,49+,50+,52+/m0/s1

Isómeros SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O

CAS alternativo

78763-58-3

PubChem CID

70698266

Términos de entrada MeSH

deapi-platycodin;deapi-platycodin D

Peso molecular

1093.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Terpene glycosides
        • Level5 Triterpene glycosides
          • Level6 Triterpene saponins

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Triterpene glycosides
• Direct Parent: Triterpene saponins
• Alternative Parents: Triterpenoids Oligosaccharides 12-alpha-hydroxysteroids Fatty acyl glycosides O-glycosyl compounds Beta hydroxy acids and derivatives Oxanes Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Polyols Acetals Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpene saponin - Triterpenoid - Oligosaccharide - 12-hydroxysteroid - Hydroxysteroid - 12-alpha-hydroxysteroid - Steroid - Fatty acyl glycoside - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Oxane - Hydroxy acid - Fatty acyl - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Polyol - Oxacycle - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
• External Descriptors: triterpenoid saponin

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: DMSO : 100 mg/mL (91.47 mM; Need ultrasonic)
• Peso molecular: 1093.200 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 12
• Exact Mass: 1092.54 Da
• Monoisotopic Mass: 1092.54 Da
• Topological Polar Surface Area: 394.000 Ų
• Heavy Atom Count: 76
• Formal Charge: 0
• Complexity: 2100.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 28
• 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