canSAR823782
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1C(=O)[C@]2(C)C(O)C[C@H]3OC[C@]34OC(=O)/C=C\Cc3ccccc3[C@H](NC(=O)c3ccccc3)[C@@H](O)C(=O)O[C@H]3C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]24)C(C)(C)C1=C3C
    InChI
    InChI=1S/C49H51NO14/c1-26-32-24-49(59)42(63-44(57)30-18-10-7-11-19-30)40-47(5,41(55)39(61-27(2)51)36(26)46(49,3)4)33(52)23-34-48(40,25-60-34)64-35(53)22-14-20-28-15-12-13-21-31(28)37(38(54)45(58)62-32)50-43(56)29-16-8-6-9-17-29/h6-19,21-22,32-34,37-40,42,52,54,59H,20,23-25H2,1-5H3,(H,50,56)/b22-14-/t32-,33?,34+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1
    MOLECULAR FORMULA
    C49H51NO14
    CROSS REFERENCES
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    canSAR823782
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight877.33
    AlogP3.83
    HBond donors4
    HBond acceptors15
    Atoms115
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823782.