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canSAR1523553
FEATURES
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NAMES
    SMILES
    CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)C[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@H](O)[C@@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O
    InChI
    InChI=1S/C35H40O13/c1-19(36)43-18-34-27(44-20(2)37)24(46-30(40)22-13-9-7-10-14-22)17-33(6,42)35(34)28(45-21(3)38)25(32(4,5)48-35)26(39)29(34)47-31(41)23-15-11-8-12-16-23/h7-16,24-29,39,42H,17-18H2,1-6H3/t24-,25+,26-,27-,28+,29-,33-,34-,35-/m0/s1
    MOLECULAR FORMULA
    C35H40O13
    CROSS REFERENCES
    1523553 logo

    canSAR1523553

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 668.25
    AlogP 2.54
    HBond donors 2
    HBond acceptors 13
    Atoms 88
    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 canSAR1523553.