canSAR2095947
FEATURES
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NAMES
    SMILES
    COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)/C=C/c6ccccc6)C6(C)C(O)(C(C)OC(=O)c8cccnc8)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O
    InChI
    InChI=1S/C64H91NO20/c1-35-55(67)44(72-8)29-52(76-35)83-57-37(3)78-54(31-46(57)74-10)85-58-38(4)79-53(32-47(58)75-11)84-56-36(2)77-51(30-45(56)73-9)81-43-22-23-60(6)42(28-43)21-24-63(70)48(60)33-49(82-50(66)20-19-40-16-13-12-14-17-40)61(7)62(69,25-26-64(61,63)71)39(5)80-59(68)41-18-15-27-65-34-41/h12-21,27,34-39,43-49,51-58,67,69-71H,22-26,28-33H2,1-11H3/b20-19+/t35-,36?,37+,38-,39-,43-,44+,45?,46-,47-,48+,49+,51-,52-,53-,54-,55-,56?,57+,58+,60-,61+,62+,63-,64+/m0/s1
    MOLECULAR FORMULA
    C64H91NO20
    CROSS REFERENCES
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    canSAR2095947
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1193.61
    AlogP6.29
    HBond donors4
    HBond acceptors21
    Atoms176
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095947.