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canSAR779669
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)O[C@H]2[C@H](O[C@H]3[C@H](OC(C)=O)[C@@H](O[C@H]4C[C@H]5[C@@H]6CCc7cc(O)ccc7[C@H]6CC[C@]5(C)[C@@]4(O)[C@H](C)C(=O)CCC(C)C)OC[C@H]3O)OC[C@@H](O)[C@@H]2O)cc1
    InChI
    InChI=1S/C46H62O15/c1-23(2)7-16-34(49)24(3)46(54)37(20-33-32-14-10-27-19-28(48)11-15-30(27)31(32)17-18-45(33,46)5)59-44-41(58-25(4)47)39(36(51)22-57-44)61-43-40(38(52)35(50)21-56-43)60-42(53)26-8-12-29(55-6)13-9-26/h8-9,11-13,15,19,23-24,31-33,35-41,43-44,48,50-52,54H,7,10,14,16-18,20-22H2,1-6H3/t24-,31-,32-,33+,35-,36-,37+,38+,39-,40-,41+,43+,44-,45+,46-/m1/s1
    MOLECULAR FORMULA
    C46H62O15
    CROSS REFERENCES
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    canSAR779669

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 854.41
    AlogP 3.96
    HBond donors 5
    HBond acceptors 15
    Atoms 123
    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 canSAR779669.