Phytolaccoside E (Esculentoside A)

Base Information

• Chemical Name: Phytolaccoside E (Esculentoside A)
• CAS No.: 65497-07-6
• Molecular Formula: C₄₂H₆₆O₁₆
• Molecular Weight: 826.976
• Hs Code.: 29389090
• European Community (EC) Number: 683-197-1
• Wikidata: Q105379796
• Mol file: 65497-07-6.mol

Synonyms:esculentoside A

Chemical Property of Phytolaccoside E (Esculentoside A)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 936.7 ºC
• PKA: 4.39±0.70(Predicted)
• Flash Point: 275.3 ºC
• PSA: 262.36000
• Density: 1.42 g/cm^3/sup>
• LogP: 0.61740
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 9
• Exact Mass: 826.43508601
• Heavy Atom Count: 58
• Complexity: 1610

Purity/Quality:

98%,99%, ^*data from raw suppliers

Esculentoside A ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC
• Uses: Esculentoside A is a saponin isolated from the root of Phytolacca esculenta. Modulates the immune response. and effects cell proliferation and apoptosis in cells. Anti-inflammatory. 500