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canSAR785193
FEATURES
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NAMES
    SMILES
    OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(COCCCOc6ccc(O[C@@H]7OC(CO)[C@@H](O)C(O)[C@@H]7O)cc6)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
    InChI
    InChI=1S/C57H90O42/c58-8-18-26(65)27(66)35(74)50(85-18)84-17-4-2-16(3-5-17)83-7-1-6-82-15-25-49-34(73)42(81)57(92-25)98-48-24(14-64)90-55(40(79)32(48)71)96-46-22(12-62)88-53(38(77)30(46)69)94-44-20(10-60)86-51(36(75)28(44)67)93-43-19(9-59)87-52(37(76)29(43)68)95-45-21(11-61)89-54(39(78)31(45)70)97-47-23(13-63)91-56(99-49)41(80)33(47)72/h2-5,18-81H,1,6-15H2/t18?,19?,20?,21?,22?,23?,24?,25?,26-,27?,28?,29?,30?,31?,32?,33?,34?,35+,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50-,51?,52?,53?,54?,55?,56?,57?/m1/s1
    MOLECULAR FORMULA
    C57H90O42
    CROSS REFERENCES
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    canSAR785193

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1446.49
    AlogP -15.56
    HBond donors 24
    HBond acceptors 42
    Atoms 189
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR785193.