Taxifolin-3-glucoside

Base Information

• Chemical Name: Taxifolin-3-glucoside
• CAS No.: 27297-45-6
• Molecular Formula: C₂₁H₂₂O₁₂
• Molecular Weight: 466.398
• UNII: 9Y2629204W
• ChEMBL ID: CHEMBL2332678
• DSSTox Substance ID: DTXSID80181740
• Metabolomics Workbench ID: 128098
• Nikkaji Number: J363.630E
• Wikidata: Q27273370
• Mol file: 27297-45-6.mol

Synonyms:taxifolin-3'-O-beta-D-pyranglucoside;taxifolin-3-glucopyranoside;taxifolin-3-O-beta-D-glucopyranoside

Chemical Property of Taxifolin-3-glucoside

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 466.11112613
• Heavy Atom Count: 33
• Complexity: 692

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O