Antioside

Base Information

• Chemical Name: Antioside
• CAS No.: 3981-16-6
• Deprecated CAS: 53682-13-6,59170-21-7
• Molecular Formula: C29H44O10
• Molecular Weight: 552.6537
• DSSTox Substance ID: DTXSID60960373
• Nikkaji Number: J14.428B
• Wikidata: Q27103661
• Metabolomics Workbench ID: 35230
• ChEMBL ID: CHEMBL2419855
• Mol file: 3981-16-6.mol

Synonyms:ANTIOSIDE;3981-16-6;alpha-Antiosid;alpha-Antioside;Antiogenin 3-O-alpha-L-rhamnoside;CHEBI:28373;3-[(3S,5S,8R,9S,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;3beta-(6-deoxy-alpha-L-mannopyranosyloxy)-5,12beta,14-trihydroxy-5beta-card-20(22)-enolide;CHEMBL2419855;DTXSID60960373;LMST01120016;C08848;Q27103661;3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxycard-20(22)-enolide

Chemical Property of Antioside

Chemical Property:

• Vapor Pressure: 1.2E-26mmHg at 25°C
• Refractive Index: 1.627
• Boiling Point: 759.8°Cat760mmHg
• Flash Point: 247.2°C
• PSA: 166.14000
• Density: 1.41g/cm³
• LogP: 0.54180
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 552.29344760
• Heavy Atom Count: 39
• Complexity: 1030

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4C[C@H]([C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)O)C)O)O)O

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