Poliumoside

Base Information

• Chemical Name: Poliumoside
• CAS No.: 94079-81-9
• Molecular Formula: C₃₅H₄₆O₁₉
• Molecular Weight: 770.739
• Hs Code.: 29389090
• DSSTox Substance ID: DTXSID001319107
• Nikkaji Number: J443.969D,J2.558.901G
• Wikidata: Q105350780
• Metabolomics Workbench ID: 139371
• ChEMBL ID: CHEMBL499145
• Mol file: 94079-81-9.mol

Synonyms:poliumoside

Chemical Property of Poliumoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.685
• Boiling Point: 1023.2 °C at 760 mmHg
• PKA: 9.31±0.10(Predicted)
• Flash Point: 316.2 °C
• PSA: 304.21000
• Density: 1.62g/cm³
• LogP: -2.16410
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 13
• Exact Mass: 770.26332923
• Heavy Atom Count: 54
• Complexity: 1210

Purity/Quality:

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

Poliumoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O
• Uses: Poliumoside is a major phenylethanoid glycoside acting as an antioxidant and anti-inflammatory agent.