Tragopogonsaponin A

Base Information

• Chemical Name: Tragopogonsaponin A
• CAS No.: 134361-64-1
• Molecular Formula: C₃₆H₅₆O₁₀
• Molecular Weight: 648.835
• DSSTox Substance ID: DTXSID801131351
• Wikidata: Q104913243

Synonyms:Tragopogonsaponin A;CHEBI:176273;DTXSID801131351;6-[(8a-carboxy-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;D-Glucopyranosiduronic acid, (3beta,16alpha)-17-carboxy-16-hydroxy-28-norolean-12-en-3-yl;134361-64-1

Chemical Property of Tragopogonsaponin A

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 648.38734798
• Heavy Atom Count: 46
• Complexity: 1290

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MSDS Files:

Useful:

• Canonical SMILES: CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C(=O)O)C

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