984393 logo
canSAR984393
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)CC[C@H]1O
    InChI
    InChI=1S/C30H46O6/c1-4-25-24(31)7-8-27(36-25)35-20-9-12-28(2)19(16-20)5-6-23-22(28)10-13-29(3)21(11-14-30(23,29)33)18-15-26(32)34-17-18/h15,19-25,27,31,33H,4-14,16-17H2,1-3H3/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29-,30+/m1/s1
    MOLECULAR FORMULA
    C30H46O6
    CROSS REFERENCES
    984393 logo

    canSAR984393

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 502.33
    AlogP 4.90
    HBond donors 2
    HBond acceptors 6
    Atoms 82
    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 canSAR984393.