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

CAS: 78763-58-3 Cat. No.: D647591 Formule: C₅₂H₈₄O₂₄ Poids moléculaire: 1093.21 Numéro CE: 813-722-3 PubChem CID: 70698266

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Form:Solid

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Mécanismes biochimiques et physiologiques

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

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.

Type d'action

INHIBITOR

Pureté

≥97%

Noms et identifiants

Sourires canoniques

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

Isomères 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 alternatif

78763-58-3

PubChem CID

70698266

Termes d'entrée MeSH

deapi-platycodin;deapi-platycodin D

Poids moléculaire

1093.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO : 100 mg/mL (91.47 mM; Need ultrasonic)
• Poids moléculaire: 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