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canSAR785450
FEATURES
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NAMES
    SMILES
    C=C1[C@@H]([C@@]2(C)[C@H](OC(C)=O)CC(=O)O[C@]3(C)COC(=O)C[C@@H]32)[C@H](C(=O)O)[C@H](OC(=O)C(O)C(C)CC)[C@@]2(C)[C@H](c3ccoc3)CC(=O)[C@]12O
    InChI
    InChI=1S/C35H44O14/c1-8-16(2)28(40)31(43)48-29-26(30(41)42)27(17(3)35(44)22(37)11-20(34(29,35)7)19-9-10-45-14-19)33(6)21-12-24(38)46-15-32(21,5)49-25(39)13-23(33)47-18(4)36/h9-10,14,16,20-21,23,26-29,40,44H,3,8,11-13,15H2,1-2,4-7H3,(H,41,42)/t16?,20-,21-,23+,26-,27+,28?,29-,32+,33+,34+,35+/m0/s1
    MOLECULAR FORMULA
    C35H44O14
    CROSS REFERENCES
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    canSAR785450

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 688.27
    AlogP 2.49
    HBond donors 3
    HBond acceptors 14
    Atoms 93
    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 canSAR785450.