835777 logo
canSAR835777
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCC/C=C/COc3ccccc3[C@H](NC(=O)c3ccccc3)[C@@H](O)C(=O)O[C@H]3C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]24)C(C)(C)C1=C3C
    InChI
    InChI=1S/C52H57NO15/c1-29-35-27-52(62)45(67-47(60)32-20-12-9-13-21-32)43-50(5,44(58)42(65-30(2)54)39(29)49(52,3)4)36(55)26-37-51(43,28-64-37)68-38(56)24-14-6-7-17-25-63-34-23-16-15-22-33(34)40(41(57)48(61)66-35)53-46(59)31-18-10-8-11-19-31/h7-13,15-23,35-37,40-43,45,55,57,62H,6,14,24-28H2,1-5H3,(H,53,59)/b17-7+/t35-,36-,37+,40-,41+,42+,43-,45-,50+,51-,52+/m0/s1
    MOLECULAR FORMULA
    C52H57NO15
    CROSS REFERENCES
    835777 logo

    canSAR835777

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 935.37
    AlogP 4.83
    HBond donors 4
    HBond acceptors 16
    Atoms 125
    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 canSAR835777.