Pterocaryanin B

Base Information

• Chemical Name: Pterocaryanin B
• CAS No.: 115356-04-2
• Molecular Formula: C27H22 O18
• Wikidata: Q105326965

Synonyms:Pterocaryanin B;CHEBI:168109;[3,4,5,11,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-14-yl] 3,4,5-trihydroxybenzoate

Chemical Property of Pterocaryanin B

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 4
• Exact Mass: 634.08061385
• Heavy Atom Count: 45
• Complexity: 1090

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• Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(OC(C3C2OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)O)CO

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