canSAR939324
FEATURES
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NAMES
    SMILES
    CO[C@H]1O[C@@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@@H](COS(=O)(=O)O)[C@@H](O[C@@H]4O[C@@H](C(=O)O)[C@@H](O[C@H]5O[C@@H](COS(=O)(=O)O)[C@@H](OC)[C@H](OC)[C@H]5NS(=O)(=O)O)[C@H](OC)[C@H]4OC)[C@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)[C@H](OC)[C@H]2OS(=O)(=O)O)[C@@H](OC)[C@@H]1NS(=O)(=O)O
    InChI
    InChI=1S/C37H64N2O50S8/c1-68-16-11(8-75-92(50,51)52)79-34(15(19(16)69-2)39-91(47,48)49)83-23-21(71-4)28(73-6)35(85-26(23)31(40)41)82-18-13(10-77-94(56,57)58)80-36(30(89-97(65,66)67)25(18)87-95(59,60)61)84-24-22(72-5)29(88-96(62,63)64)37(86-27(24)32(42)43)81-17-12(9-76-93(53,54)55)78-33(74-7)14(20(17)70-3)38-90(44,45)46/h11-30,33-39H,8-10H2,1-7H3,(H,40,41)(H,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)/t11-,12-,13-,14-,15+,16+,17+,18+,19+,20-,21-,22-,23-,24-,25-,26+,27-,28+,29+,30+,33-,34+,35+,36-,37+/m0/s1
    MOLECULAR FORMULA
    C37H64N2O50S8
    CROSS REFERENCES
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    canSAR939324
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1592.03
    AlogP-9.40
    HBond donors12
    HBond acceptors52
    Atoms161
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR939324.