canSAR823972
FEATURES
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NAMES
    SMILES
    CCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)CO[C@@H]1OC(CO[C@H]2OC(CO)[C@H](O)[C@@H](O)C2O)[C@H](O)[C@@H](O)C1O
    InChI
    InChI=1S/C45H82O15/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-37(48)58-33(30-55-36(47)27-25-23-21-19-17-14-12-10-8-6-4-2)31-56-44-43(54)41(52)39(50)35(60-44)32-57-45-42(53)40(51)38(49)34(29-46)59-45/h13,15,33-35,38-46,49-54H,3-12,14,16-32H2,1-2H3/b15-13-/t33?,34?,35?,38-,39-,40+,41+,42?,43?,44+,45-/m0/s1
    MOLECULAR FORMULA
    C45H82O15
    CROSS REFERENCES
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    canSAR823972
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight862.57
    AlogP5.04
    HBond donors7
    HBond acceptors15
    Atoms142
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823972.