canSAR1645672
FEATURES
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NAMES
    SMILES
    C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6C(O[C@H]7CC[C@H](CC(=O)O[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@@H](CC(O)CO)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4
    InChI
    InChI=1S/C39H56O13/c1-18-11-22-5-7-25-19(2)12-24(44-25)9-10-39-16-30-35(51-39)36-37(49-30)38(52-39)33-26(48-36)8-6-23(46-33)14-31(42)50-34-29(15-27(45-22)20(18)3)47-28(32(34)43-4)13-21(41)17-40/h18,21-30,32-38,40-41H,2-3,5-17H2,1,4H3/t18-,21?,22+,23-,24+,25+,26+,27-,28+,29+,30+,32+,33+,34+,35+,36?,37-,38+,39+/m1/s1
    MOLECULAR FORMULA
    C39H56O13
    CROSS REFERENCES
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    canSAR1645672
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight732.37
    AlogP2.81
    HBond donors2
    HBond acceptors13
    Atoms108
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1645672.