Quercetin 3-gentiobioside

Base Information

• Chemical Name: Quercetin 3-gentiobioside
• CAS No.: 7431-83-6
• Molecular Formula: C27H30O17
• Molecular Weight: 626.525
• DSSTox Substance ID: DTXSID701310649
• Nikkaji Number: J94.452A
• Wikidata: Q104993730
• Metabolomics Workbench ID: 122196
• ChEMBL ID: CHEMBL1097317
• Mol file: 7431-83-6.mol

Synonyms:quercetin 3-O-gentobioside

Chemical Property of Quercetin 3-gentiobioside

Chemical Property:

• Melting Point: 205-207℃ (chloroform )
• Boiling Point: 1033.2±65.0 °C(Predicted)
• PKA: 6.17±0.40(Predicted)
• PSA: 289.66000
• Density: 1.89±0.1 g/cm3(Predicted)
• LogP: -2.71470
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 7
• Exact Mass: 626.14829948
• Heavy Atom Count: 44
• Complexity: 1040

Purity/Quality:

≥98% ^*data from raw suppliers

Quercetin 3-gentiobioside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O
• Uses: Quercetin 3-O-β-Gentiobioside is a derivative of Quercetin (Q509500), a flavonoid with anticancer activity. It is a mitochondrial ATPase and phosphodiesterase inhibitor. It Inhibits PI3-kinase activity and slightly inhibits PIP kinase activity. Quercetin has antiproliferative effects on cancer cell lines,