833420 logo
canSAR833420
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)O[C@@H]1C[C@@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)C(C)(C)O3
    InChI
    InChI=1S/C33H38O8/c1-21(34)38-25-20-31(4,37)33-19-24(30(2,3)41-33)18-26(39-27(35)17-16-22-12-8-6-9-13-22)32(33,5)28(25)40-29(36)23-14-10-7-11-15-23/h6-17,24-26,28,37H,18-20H2,1-5H3/b17-16+/t24-,25-,26+,28+,31-,32-,33+/m1/s1
    MOLECULAR FORMULA
    C33H38O8
    CROSS REFERENCES
    833420 logo

    canSAR833420

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 562.26
    AlogP 4.89
    HBond donors 1
    HBond acceptors 8
    Atoms 79
    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 canSAR833420.