canSAR2095662
FEATURES
Loading...
NAMES
    SMILES
    CC(C)(O)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
    InChI
    InChI=1S/C47H75NO9/c1-41(2,3)57-40(52)48-32(18-19-37(50)55-29-30-16-13-12-14-17-30)39(51)56-33-28-35-44(8)25-22-36(49)43(6,7)34(44)21-27-45(35,9)46(10)26-20-31(38(33)46)47(11,54)24-15-23-42(4,5)53/h12-14,16-17,31-36,38,49,53-54H,15,18-29H2,1-11H3,(H,48,52)/t31-,32-,33+,34-,35+,36-,38-,44-,45+,46+,47+/m0/s1
    MOLECULAR FORMULA
    C47H75NO9
    CROSS REFERENCES
    Loading...
    canSAR2095662
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight797.54
    AlogP8.66
    HBond donors4
    HBond acceptors10
    Atoms132
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095662.