Andrographidin A

Base Information

• Chemical Name: Andrographidin A
• CAS No.: 113963-37-4
• Molecular Formula: C23H26 O10
• Molecular Weight: 462.453
• UNII: KD098V596T
• Metabolomics Workbench ID: 27803
• Nikkaji Number: J2.431.993H

Synonyms:Andrographidin A;Andrographidine A;113963-37-4;UNII-KD098V596T;KD098V596T;(2S)-7,8-dimethoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one;4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-2,3-dihydro-7,8-dimethoxy-2-phenyl-, (2S)-;CHEBI:186955;AKOS040763589;FS-8309;Q27282187;4H-1-BENZOPYRAN-4-ONE, 5-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-7,8-DIMETHOXY-2-PHENYL-, (2S)-

Chemical Property of Andrographidin A

Chemical Property:

• PSA: 144.14000
• LogP: 0.58900
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 462.15259702
• Heavy Atom Count: 33
• Complexity: 655

Purity/Quality:

≥98% ^*data from raw suppliers

AndrographidineA ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC4C(C(C(C(O4)CO)O)O)O)OC
• Isomeric SMILES: COC1=C(C2=C(C(=O)C[C@H](O2)C3=CC=CC=C3)C(=C1)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC

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