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canSAR828560
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NAMES
    SMILES
    C=C1[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O
    InChI
    InChI=1S/C33H40O11/c1-17-14-15-32(7,8)30(38)28(43-22(6)36)27(42-21(5)35)19(3)26(41-20(4)34)24-25(18(2)16-33(24,40)29(17)37)44-31(39)23-12-10-9-11-13-23/h9-15,17-18,24-28,40H,3,16H2,1-2,4-8H3/b15-14+/t17-,18-,24+,25-,26-,27-,28+,33+/m0/s1
    MOLECULAR FORMULA
    C33H40O11
    CROSS REFERENCES
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    canSAR828560

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 612.26
    AlogP 3.32
    HBond donors 1
    HBond acceptors 11
    Atoms 84
    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 canSAR828560.