65130 logo
canSAR65130
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CNC(=O)CCCc4cc5cccc6ccc7cccc4c7c65)O3)[C@H](O)[C@H](O)[C@H]2O)cc1
    InChI
    InChI=1S/C44H50N2O16/c1-58-26-13-15-27(16-14-26)60-42-40(55)39(54)38(53)31(61-42)21-59-44(43(56)57)18-29(48)36(46-33(51)20-47)41(62-44)37(52)30(49)19-45-32(50)10-4-7-24-17-25-8-2-5-22-11-12-23-6-3-9-28(24)35(23)34(22)25/h2-3,5-6,8-9,11-17,29-31,36-42,47-49,52-55H,4,7,10,18-21H2,1H3,(H,45,50)(H,46,51)(H,56,57)/t29-,30+,31+,36+,37+,38-,39-,40+,41+,42+,44+/m0/s1
    MOLECULAR FORMULA
    C44H50N2O16
    CROSS REFERENCES
    65130 logo

    canSAR65130

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 862.32
    AlogP 0.06
    HBond donors 10
    HBond acceptors 18
    Atoms 112
    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 canSAR65130.