Sesamoside

Base Information

• Chemical Name: Sesamoside
• CAS No.: 117479-87-5
• Molecular Formula: C17H24O12
• Molecular Weight: 420.36526
• UNII: Q2S45L3ZVB
• DSSTox Substance ID: DTXSID00922430
• Nikkaji Number: J599.438A
• Wikidata: Q72507435
• ChEMBL ID: CHEMBL2048637
• Mol file: 117479-87-5.mol

Synonyms:sesamoside

Chemical Property of Sesamoside

Chemical Property:

• Vapor Pressure: 2.73E-21mmHg at 25°C
• Refractive Index: 1.658
• Boiling Point: 677.9 °C at 760 mmHg
• PKA: 11.19±0.70(Predicted)
• Flash Point: 244.2 °C
• PSA: 187.90000
• Density: 1.71 g/cm³
• LogP: -3.90460
• XLogP3: -3.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 420.12677620
• Heavy Atom Count: 29
• Complexity: 713

Purity/Quality:

98% ^*data from raw suppliers

Sesamoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C3C(OC=C(C3(C(C1O2)O)O)C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O
• Isomeric SMILES: C[C@@]12[C@H]3[C@@H](OC=C([C@]3([C@@H]([C@@H]1O2)O)O)C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
• Uses: Sesamoside is an iridoid component found in Lamium album, Lamium amplexicaule, Lamium garganicum, Lamium maculatum, and Lamium purpureum. Also it is a cytotoxic and Antibacterial agent.