canSAR2099223
FEATURES
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NAMES
    SMILES
    COC1C(O)C(OC2CCC3(CO)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
    InChI
    InChI=1S/C42H66O19/c1-18-35(61-38-33(51)31(49)29(47)26(60-38)16-56-37-32(50)30(48)28(46)25(14-43)59-37)36(54-3)34(52)39(57-18)58-21-6-10-41(17-44)20(13-21)4-5-24-23(41)7-9-40(2)22(8-11-42(24,40)53)19-12-27(45)55-15-19/h12,18,20-26,28-39,43-44,46-53H,4-11,13-17H2,1-3H3/t18-,20+,21-,22+,23-,24+,25+,26+,28+,29+,30-,31-,32+,33+,34-,35-,36-,37+,38-,39-,40+,41+,42?/m0/s1
    MOLECULAR FORMULA
    C42H66O19
    CROSS REFERENCES
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    canSAR2099223
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight874.42
    AlogP-2.27
    HBond donors10
    HBond acceptors19
    Atoms127
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2099223.