1089366 logo
canSAR1089366
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCC(=O)O[C@@H]1[C@@H](O)C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@@]4(C)CC(=O)[C@]32C)C1(C)C
    InChI
    InChI=1S/C35H54O9/c1-11-27(41)43-29-22(37)16-21-20(31(29,5)6)12-13-24-32(7)17-23(38)28(33(32,8)18-26(40)34(21,24)9)35(10,42)25(39)14-15-30(3,4)44-19(2)36/h12,21-24,28-29,37-38,42H,11,13-18H2,1-10H3/t21-,22+,23-,24+,28+,29-,32+,33-,34+,35+/m1/s1
    MOLECULAR FORMULA
    C35H54O9
    CROSS REFERENCES
    1089366 logo

    canSAR1089366

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 618.38
    AlogP 4.48
    HBond donors 3
    HBond acceptors 9
    Atoms 98
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1089366.