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canSAR918993
FEATURES
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NAMES
    SMILES
    O=C(O[C@@H]1Cc2c(O)cc(O)c([C@@H](c3cc(O)c(O)c(O)c3)[C@@H](Cc3c(O)cc(O)cc3O)OC(=O)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
    InChI
    InChI=1S/C44H36O22/c45-18-9-21(46)19(22(47)10-18)11-33(64-43(62)16-5-29(54)39(60)30(55)6-16)35(14-1-25(50)37(58)26(51)2-14)36-24(49)13-23(48)20-12-34(65-44(63)17-7-31(56)40(61)32(57)8-17)41(66-42(20)36)15-3-27(52)38(59)28(53)4-15/h1-10,13,33-35,41,45-61H,11-12H2/t33-,34-,35+,41-/m1/s1
    MOLECULAR FORMULA
    C44H36O22
    CROSS REFERENCES
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    canSAR918993

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 916.17
    AlogP 4.18
    HBond donors 17
    HBond acceptors 22
    Atoms 102
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR918993.