1017770 logo
canSAR1017770
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2
    InChI
    InChI=1S/C22H28O8/c1-6-12(2)19(24)28-16-9-13(3)22(26)8-7-21(5,30-22)10-17-18(16)15(20(25)29-17)11-27-14(4)23/h6,10,13,16,26H,7-9,11H2,1-5H3/b12-6+,17-10+/t13-,16+,21-,22+/m1/s1
    MOLECULAR FORMULA
    C22H28O8
    CROSS REFERENCES
    1017770 logo

    canSAR1017770

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.18
    AlogP 2.46
    HBond donors 1
    HBond acceptors 8
    Atoms 58
    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 canSAR1017770.