canSAR82418
FEATURES
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NAMES
    SMILES
    CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C(C)CC)O4)O3)OC(=O)C3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)C34O)C[C@@H]1OC
    InChI
    InChI=1S/C45H68O13/c1-10-25(3)40-28(6)17-18-44(58-40)22-33-20-32(57-44)16-15-27(5)39(56-37-21-35(50-9)41(30(8)54-37)52-24-36(46)51-11-2)26(4)13-12-14-31-23-53-42-38(47)29(7)19-34(43(48)55-33)45(31,42)49/h12-15,19,25-26,28,30,32-35,37-42,47,49H,10-11,16-18,20-24H2,1-9H3/b13-12+,27-15+,31-14+/t25?,26-,28-,30-,32+,33-,34?,35-,37-,38+,39-,40+,41-,42+,44+,45?/m0/s1
    MOLECULAR FORMULA
    C45H68O13
    CROSS REFERENCES
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    canSAR82418
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight816.47
    AlogP5.65
    HBond donors2
    HBond acceptors13
    Atoms126
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR82418.