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canSAR1131216
FEATURES
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NAMES
    SMILES
    C=C1[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O
    InChI
    InChI=1S/C47H59NO15/c1-24-31(52)23-47(45(9,10)57)34(24)38(62-41(54)30-20-16-13-17-21-30)40(60-28(5)51)46(11)33(58-26(3)49)22-32(25(2)35(46)39(47)59-27(4)50)61-42(55)37(53)36(29-18-14-12-15-19-29)48-43(56)63-44(6,7)8/h12-21,31-33,35-40,52-53,57H,2,22-23H2,1,3-11H3,(H,48,56)/t31-,32-,33-,35-,36+,37-,38+,39-,40-,46+,47-/m0/s1
    MOLECULAR FORMULA
    C47H59NO15
    CROSS REFERENCES
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    canSAR1131216

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 877.39
    AlogP 4.98
    HBond donors 4
    HBond acceptors 16
    Atoms 122
    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 canSAR1131216.