Senegin II

Base Information

• Chemical Name: Senegin II
• CAS No.: 34366-31-9
• Molecular Formula: C70H104O32
• Molecular Weight: 1457.5556
• DSSTox Substance ID: DTXSID101318364
• Metabolomics Workbench ID: 70857
• Nikkaji Number: J1.944.341H,J943.744D
• Wikidata: Q27089376,Q105168658
• Mol file: 34366-31-9.mol

Synonyms:E,Z-senegin II;senegin II

Chemical Property of Senegin II

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 494.88000
• Density: 1.52g/cm³
• LogP: -2.22740
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 32
• Rotatable Bond Count: 21
• Exact Mass: 1456.6510711
• Heavy Atom Count: 102
• Complexity: 2980

Purity/Quality:

99% ^*data from raw suppliers

SeneginII ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)CO)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)C)OC(=O)C=CC9=CC(=C(C=C9)OC)OC)O)O)O)OC1C(C(C(CO1)OC1C(C(C(C(O1)CO)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(C[C@@H]([C@@H]([C@@]7(C)C(=O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)CO)C)OC(=O)/C=C/C9=CC(=C(C=C9)OC)OC)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O
• Uses: Senegin II is a triterpenoidal saponin which acts as an anti-angiogenic agent used in traditional Chinese medicine.