canSAR1632445
FEATURES
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NAMES
    SMILES
    CC(=O)O.CC(=O)OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
    InChI
    InChI=1S/C25H26O14.C2H4O2/c1-11(26)32-10-20-22(34-13(3)28)23(35-14(4)29)24(36-15(5)30)25(39-20)38-18-8-16-6-7-21(31)37-17(16)9-19(18)33-12(2)27;1-2(3)4/h6-9,20,22-25H,10H2,1-5H3;1H3,(H,3,4)/t20-,22-,23+,24-,25-;/m1./s1
    MOLECULAR FORMULA
    C27H30O16
    CROSS REFERENCES
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    canSAR1632445
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight610.15
    AlogP1.27
    HBond donors1
    HBond acceptors16
    Atoms73
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632445.