Picroside II

Base Information

• Chemical Name: Picroside II
• CAS No.: 39012-20-9
• Molecular Formula: C23H28O13
• Molecular Weight: 512.4606
• Hs Code.: 29389090
• European Community (EC) Number: 254-247-6
• Wikidata: Q104251929
• Mol file: 39012-20-9.mol

Synonyms:beta-D-Glucopyranoside,1alpha,1beta,2,5alpha,6,6alpha-hexahydro-6-[(4-hydroxy-3-methoxybenzoyl)oxy]-1alpha-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl,[1aS-(1aa,1bb,2b,5ab,6b,6aa)]-;Oxireno[4,5]cyclopenta[1,2-c]pyran, beta-D-glucopyranoside deriv.;6-Vanilloylcatalpol;Picroside II;Vanilloyl catalpol;PicrosideⅡ;

Chemical Property of Picroside II

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.681
• Boiling Point: 780.8 °C at 760 mmHg
• PKA: 8.07±0.20(Predicted)
• Flash Point: 267.9 °C
• PSA: 197.13000
• Density: 1.66 g/cm³
• LogP: -2.01140
• Storage Temp.: 2-8°C
• Solubility.: ethanol: soluble1mg/mL, clear, colorless
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 512.15299094
• Heavy Atom Count: 36
• Complexity: 839

Purity/Quality:

95%-98% ^*data from raw suppliers

Picroside II ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O
• Isomeric SMILES: COC1=C(C=CC(=C1)C(=O)OC2C3C=COC(C3C4(C2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
• Uses: Picroside II similar to Picroside I (P437635), acts as an oxygen free radical scavenger and thus promotes anti-inflammatory activity and may be used in the treatment of arthritis or ischemic injury.