Occidentoside

Base Information

• Chemical Name: Occidentoside
• CAS No.: 77782-91-3
• Molecular Formula: C36H32O15
• Molecular Weight: 704.6303
• Nikkaji Number: J53.082D
• Mol file: 77782-91-3.mol

Synonyms:Occidentoside;77782-91-3;4H-1-Benzopyran-4-one, 2-(4-(3-beta-D-glucopyranosyl-2,4,6-trihydroxy-5-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)phenoxy)phenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-;C36H32O15;(2S)-5,7-Dihydroxy-2-[4-[2,4,6-Trihydroxy-3-[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]-5-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Phenoxy]Phenyl]Chroman-4-One

Chemical Property of Occidentoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 955.8°Cat760mmHg
• Flash Point: 302.3°C
• PSA: 264.13000
• Density: 1.633g/cm³
• LogP: 2.83000
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 704.17412031
• Heavy Atom Count: 51
• Complexity: 1220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OC4=C(C(=C(C(=C4O)C(=O)C=CC5=CC=C(C=C5)O)O)C6C(C(C(C(O6)CO)O)O)O)O
• Isomeric SMILES: C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OC4=C(C(=C(C(=C4O)C(=O)/C=C/C5=CC=C(C=C5)O)O)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O