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canSAR2018146
FEATURES
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NAMES
    SMILES
    O=C(O)CCCSCC1O[C@@H]2O[C@@H]3C(CSCCCC(=O)O)O[C@H](O[C@@H]4C(CSCCCC(=O)O)O[C@H](O[C@@H]5C(CSCCCC(=O)O)O[C@H](O[C@@H]6C(CSCCCC(=O)O)O[C@H](O[C@@H]7C(CSCCCC(=O)O)O[C@H](O[C@@H]8C(CSCCCC(=O)O)O[C@H](O[C@@H]9C(CSCCCC(=O)O)O[C@H](O[C@H]1C(O)C2O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
    InChI
    InChI=1S/C80H128O48S8/c81-41(82)9-1-17-129-25-33-65-49(97)57(105)73(113-33)122-66-34(26-130-18-2-10-42(83)84)115-75(59(107)51(66)99)124-68-36(28-132-20-4-12-44(87)88)117-77(61(109)53(68)101)126-70-38(30-134-22-6-14-46(91)92)119-79(63(111)55(70)103)128-72-40(32-136-24-8-16-48(95)96)120-80(64(112)56(72)104)127-71-39(31-135-23-7-15-47(93)94)118-78(62(110)54(71)102)125-69-37(29-133-21-5-13-45(89)90)116-76(60(108)52(69)100)123-67-35(27-131-19-3-11-43(85)86)114-74(121-65)58(106)50(67)98/h33-40,49-80,97-112H,1-32H2,(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)/t33?,34?,35?,36?,37?,38?,39?,40?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80?/m1/s1
    MOLECULAR FORMULA
    C80H128O48S8
    CROSS REFERENCES
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    canSAR2018146

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2112.53
    AlogP -4.56
    HBond donors 24
    HBond acceptors 48
    Atoms 264
    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 canSAR2018146.