TBMS1 saponin

Base Information

• Chemical Name: TBMS1 saponin
• CAS No.: 102040-03-9
• Molecular Formula: C63H98O29
• Molecular Weight: 1319.45
• Hs Code.: 29389090
• Wikidata: Q105136836
• Mol file: 102040-03-9.mol

Synonyms:TBMS1 saponin;tubeimoside 1;tubeimoside I;tubeimoside-1

Chemical Property of TBMS1 saponin

Chemical Property:

• Melting Point: 250～252℃
• Refractive Index: 1.638
• PKA: 12.54±0.70(Predicted)
• PSA: 445.19000
• Density: 1.5 g/cm³
• LogP: -2.67640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Methanol (Slightly, Heated), Pyridine (Slightly)
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 18
• Exact Mass: 1318.61937708
• Heavy Atom Count: 92
• Complexity: 2710

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Tubeimoside A ^*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(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(C=C4)C)(CCC7C6(CC(C(C7(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(CO9)OC(=O)CC(C)(CC(=O)O)O)O)O)O)C)C)(C)C)O)OC1C(C(C(CO1)O)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](CO[C@H]2OC(=O)[C@]34CCC(C[C@@H]3C5=CC[C@H]6[C@]([C@@]5(C=C4)C)(CCC7[C@@]6(C[C@@H]([C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@H](CO9)OC(=O)C[C@](C)(CC(=O)O)O)O)O)O)C)C)(C)C)O)O[C@@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O
• Uses: A triterpenoid saponin natural product Tubeimoside A is an extract of tubeimoside, the bulb of Bolbostemma paniculatum, and is used in traditional Chinese medicine to treat tumors and to detoxify.