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canSAR831284
FEATURES
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NAMES
    SMILES
    CC1OC(OC2C(OC3C(OC4C(O[C@H]5CC[C@]6(C)C7=C(CC[C@H]6[C@]5(C)CO)[C@]5(C)C[C@H]6O[C@@]8(C[C@@H](C)C(=O)O8)C[C@@H](C)[C@@H]6[C@@]5(C)CC7)OCC(O)C4O)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
    InChI
    InChI=1S/C52H82O22/c1-21-14-52(15-22(2)43(64)74-52)73-28-16-51(7)25-8-9-30-48(4,24(25)10-13-50(51,6)32(21)28)12-11-31(49(30,5)20-54)69-45-40(34(58)26(55)18-65-45)71-46-41(35(59)27(56)19-66-46)72-47-42(38(62)36(60)29(17-53)68-47)70-44-39(63)37(61)33(57)23(3)67-44/h21-23,26-42,44-47,53-63H,8-20H2,1-7H3/t21-,22-,23?,26?,27?,28-,29?,30-,31+,32+,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,44?,45?,46?,47?,48-,49+,50-,51+,52+/m1/s1
    MOLECULAR FORMULA
    C52H82O22
    CROSS REFERENCES
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    canSAR831284

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1058.53
    AlogP -1.01
    HBond donors 11
    HBond acceptors 22
    Atoms 156
    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 canSAR831284.