4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-p-coumaroylglucoside]

Base Information

• Chemical Name: 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-p-coumaroylglucoside]
• CAS No.: 105274-16-6
• Molecular Formula: C32H32O13
• Molecular Weight: 624.598
• Mol file: 105274-16-6.mol

Synonyms:4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-p-coumaroylglucoside];[4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl] 3,4,5-trihydroxybenzoate;105274-16-6;CHEBI:190079

Chemical Property of 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-p-coumaroylglucoside]

Chemical Property:

• PSA: 209.51000
• LogP: 2.33830
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 13
• Exact Mass: 624.18429107
• Heavy Atom Count: 45
• Complexity: 991

Purity/Quality:

98% Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)C=CC3=CC=C(C=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
• Isomeric SMILES: CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)/C=C/C3=CC=C(C=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O