Swertiapuniside

Base Information

• Chemical Name: Swertiapuniside
• CAS No.: 143986-29-2
• Molecular Formula: C26H30 O16
• Molecular Weight: 598.51
• DSSTox Substance ID: DTXSID30162589
• Nikkaji Number: J2.403.749E
• Wikidata: Q83031296
• Mol file: 143986-29-2.mol

Synonyms:1,5,8-trihydroxy-3-methoxy-xanthone-8-O-beta-D-glucopyranosyl(1-6)-O-beta-D-glucopyranoside;1,5,8-trihydroxy-3-methoxyxanthone-8-O-beta-D-glucopyranosyl(1-6)-O-beta-D-glucopyranoside;swertia-puniside;swertiapuniside

Chemical Property of Swertiapuniside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 982°C at 760 mmHg
• Flash Point: 326.8°C
• PSA: 258.43000
• Density: 1.79g/cm³
• LogP: -2.63110
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 598.15338487
• Heavy Atom Count: 42
• Complexity: 925

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O
• Isomeric SMILES: COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=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

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