canSAR823740
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(=O)NCCC(=O)O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C
    InChI
    InChI=1S/C49H54N2O16/c1-26-31(64-44(60)37(56)36(28-15-9-6-10-16-28)51-42(58)29-17-11-7-12-18-29)24-49(62)41(66-43(59)30-19-13-8-14-20-30)39-47(5,32(53)23-33-48(39,25-63-33)67-27(2)52)40(57)38(35(26)46(49,3)4)65-45(61)50-22-21-34(54)55/h6-20,31-33,36-39,41,53,56,62H,21-25H2,1-5H3,(H,50,61)(H,51,58)(H,54,55)/t31-,32-,33+,36-,37+,38+,39-,41-,47+,48-,49+/m0/s1
    MOLECULAR FORMULA
    C49H54N2O16
    CROSS REFERENCES
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    canSAR823740
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight926.35
    AlogP3.37
    HBond donors6
    HBond acceptors18
    Atoms121
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823740.