Gambiriin A1

Base Information

• Chemical Name: Gambiriin A1
• CAS No.: 76250-49-2
• Molecular Formula: C₃₀H₂₈O₁₂
• Molecular Weight: 580.545
• UNII: 3F3F5KRY7L
• ChEMBL ID: CHEMBL5220671
• DSSTox Substance ID: DTXSID101100266
• Nikkaji Number: J2.420.624F
• Wikidata: Q27155263

Synonyms:Gambiriin A1;3F3F5KRY7L;UNII-3F3F5KRY7L;76250-49-2;(2R,3S)-2-(3,4-Dihydroxyphenyl)-8-((1R,2S)-1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-8-((1R,2S)-1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl)-3,4-dihydro-, (2R,3S)-;(2R,3S)-2-(3,4-Dihydroxyphenyl)-8-[(1R,2S)-1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;CHEMBL5220671;CHEBI:81325;DTXSID101100266;C17772;Q27155263;(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(1R,2S)-1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-chromene-3,5,7-triol

Chemical Property of Gambiriin A1

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 580.15807632
• Heavy Atom Count: 42
• Complexity: 867

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC2=C1C(=CC(=C2C(C3=CC(=C(C=C3)O)O)C(CC4=C(C=C(C=C4O)O)O)O)O)O)C5=CC(=C(C=C5)O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H](C3=CC(=C(C=C3)O)O)[C@H](CC4=C(C=C(C=C4O)O)O)O)O)O)C5=CC(=C(C=C5)O)O)O

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