canSAR1083584
FEATURES
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NAMES
    SMILES
    C[C@H](NC[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](C)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1)C(=O)O
    InChI
    InChI=1S/C46H73NO14/c1-22-30(50)27(20-48)58-39(31(22)51)61-35-33(53)32(52)34(38(56)57)60-40(35)59-29-11-12-44(7)28(41(29,3)4)10-13-46(9)36(44)26(49)18-24-25-19-42(5,21-47-23(2)37(54)55)14-15-43(25,6)16-17-45(24,46)8/h18,22-23,25,27-36,39-40,47-48,50-53H,10-17,19-21H2,1-9H3,(H,54,55)(H,56,57)/t22-,23-,25-,27+,28-,29-,30-,31+,32-,33-,34-,35+,36+,39-,40-,42-,43+,44-,45+,46+/m0/s1
    MOLECULAR FORMULA
    C46H73NO14
    CROSS REFERENCES
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    canSAR1083584
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight863.50
    AlogP3.41
    HBond donors8
    HBond acceptors15
    Atoms134
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1083584.