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canSAR1265468
FEATURES
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NAMES
    SMILES
    C[C@@H]1O[C@@H](CC(=O)O)CC2=C1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H]1C[C@@H](O[C@H]2CC[C@H](O)[C@H](C)O2)[C@@]3(O)[C@@H](C)O1
    InChI
    InChI=1S/C28H32O12/c1-9-14(29)4-5-18(38-9)40-16-8-15-20-23(28(16,36)11(3)39-15)27(35)22-21(26(20)34)24(32)13-6-12(7-17(30)31)37-10(2)19(13)25(22)33/h9-12,14-16,18,29,34-36H,4-8H2,1-3H3,(H,30,31)/t9-,10-,11+,12+,14-,15+,16+,18-,28-/m0/s1
    MOLECULAR FORMULA
    C28H32O12
    CROSS REFERENCES
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    canSAR1265468

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 560.19
    AlogP 1.75
    HBond donors 5
    HBond acceptors 12
    Atoms 72
    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 canSAR1265468.