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canSAR1269619
FEATURES
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NAMES
    SMILES
    C=C1[C@@H](OC/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)[C@]4(C)OC[C@]3(C)[C@@H](CC4=O)[C@@H](OC(C)=O)[C@H]12
    InChI
    InChI=1S/C43H48O14/c1-24-32(51-20-14-17-29-15-10-8-11-16-29)22-34(53-25(2)44)42(57-39(49)30-18-12-9-13-19-30)35(24)36(54-26(3)45)31-21-33(48)41(7)43(50,40(31,6)23-52-41)38(56-28(5)47)37(42)55-27(4)46/h8-19,31-32,34-38,50H,1,20-23H2,2-7H3/b17-14+/t31-,32-,34-,35-,36+,37-,38-,40+,41+,42-,43-/m0/s1
    MOLECULAR FORMULA
    C43H48O14
    CROSS REFERENCES
    1269619 logo

    canSAR1269619

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 788.30
    AlogP 4.11
    HBond donors 1
    HBond acceptors 14
    Atoms 105
    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 canSAR1269619.