canSAR823831
FEATURES
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NAMES
    SMILES
    COC(=O)CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
    InChI
    InChI=1S/C50H55NO16/c1-27-32(64-46(60)39(56)38(29-16-10-7-11-17-29)51-44(58)30-18-12-8-13-19-30)25-50(61)43(66-45(59)31-20-14-9-15-21-31)41-48(5,33(53)24-34-49(41,26-63-34)67-28(2)52)42(57)40(37(27)47(50,3)4)65-36(55)23-22-35(54)62-6/h7-21,32-34,38-41,43,53,56,61H,22-26H2,1-6H3,(H,51,58)/t32-,33-,34+,38-,39+,40+,41-,43-,48+,49-,50+/m0/s1
    MOLECULAR FORMULA
    C50H55NO16
    CROSS REFERENCES
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    canSAR823831
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight925.35
    AlogP3.67
    HBond donors4
    HBond acceptors17
    Atoms122
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823831.