3,3'-Digalloylprodelphinidin B2

Base Information

• Chemical Name: 3,3'-Digalloylprodelphinidin B2
• CAS No.: 86588-89-8
• Molecular Formula: C44H34 O22
• Molecular Weight: 914.741
• Wikidata: Q104401619
• Mol file: 86588-89-8.mol

Synonyms:3,3'-Digalloylprodelphinidin B2;CHEBI:184563;3-O-Galloylepigallocatechin-(4beta->8)-epigallocatechin-3-O-gallate;[8-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;8-[5,7-Dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Chemical Property of 3,3'-Digalloylprodelphinidin B2

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 9
• Exact Mass: 914.15417271
• Heavy Atom Count: 66
• Complexity: 1630

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O