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canSAR127114
FEATURES
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NAMES
    SMILES
    C=CC1O[C@@H]2[C@H](O1)C1=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccco3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@H]3[C@@]2(C)[C@@H](O)C[C@H]2OC[C@]23OC(C)=O)C1(C)C
    InChI
    InChI=1S/C44H55NO15/c1-10-29-56-33-30-22(2)26(55-38(50)32(48)31(25-17-14-18-53-25)45-39(51)60-40(4,5)6)20-44(52,41(30,7)8)36(58-37(49)24-15-12-11-13-16-24)34-42(9,35(33)57-29)27(47)19-28-43(34,21-54-28)59-23(3)46/h10-18,26-29,31-36,47-48,52H,1,19-21H2,2-9H3,(H,45,51)/t26-,27-,28+,29?,31-,32+,33+,34-,35+,36-,42+,43-,44+/m0/s1
    MOLECULAR FORMULA
    C44H55NO15
    CROSS REFERENCES
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    canSAR127114

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 837.36
    AlogP 4.22
    HBond donors 4
    HBond acceptors 16
    Atoms 115
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR127114.