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PEDUNCULAGIN
Chemical Formula :   C34H24O22
IUPAC Name :   8-(1,2,3,8,13,14,15-heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7? H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-1,2,3,12,13,14-hexahyd? roxy-5,10-dioxo-5,7,8,10-tetrahydrodibenzo[f,h][1,4]dioxecine-7-c?arbal dehyde
CAS Registry Number / CID :   cid-5320441
SMILES Notation :   C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
Molecular weight :   784.54116 [g/mol]
x log P :   -3.6
H Bond Donor :   22
H Bond Acceptor :   13 Molecular Structure
Rotatable bond count :   2 [Download]
Biological Activities Drug likeness / ADMET      
 
   
  Constituents (Alphabetical order)