Brandioside

Base Information

• Chemical Name: Brandioside
• CAS No.: 133393-81-4
• Molecular Formula: C37H48 O20
• Molecular Weight: 812.776
• Mol file: 133393-81-4.mol

Synonyms:(beta-(3',4'-dihydroxyphenyl)ethyl)-(2-O-acetyl)-(3,6-O-di-alpha-L-rhamnopyransoyl)-(4-O-caffeoyl)-beta-D-glucopyranoside;2'-O-acetylpoliumoside;brandioside

Chemical Property of Brandioside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1008.3°Cat760mmHg
• Flash Point: 306.7°C
• PSA: 310.28000
• Density: 1.58g/cm³
• LogP: -1.59330
• XLogP3: -1
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 15
• Exact Mass: 812.27389392
• Heavy Atom Count: 57
• Complexity: 1320

Purity/Quality:

≥98% ^*data from raw suppliers

Brandioside ^*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)OC(=O)C)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O
• Isomeric SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)OC(=O)C)OC4C(C(C(C(O4)C)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O