1633416 logo
canSAR1633416
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)C1C(O)C(C)C(O)C(C)(O)/C=C\C=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=CC(C)(O)C(O)C(C)C1OC(C)=O
    InChI
    InChI=1S/C42H53NO16/c1-17-13-12-14-41(9,53)37(49)21(5)31(47)28(40(52)55-11)36(59-24(8)45)22(6)38(50)42(10,54)15-18(2)33-27-25-26(30(46)20(4)34(27)57-16-56-33)32(48)29(43-39(17)51)19(3)35(25)58-23(7)44/h12-15,21-22,28,31,36-38,47-50,53-54H,16H2,1-11H3,(H,43,51)/b14-12-,17-13?,18-15?
    MOLECULAR FORMULA
    C42H53NO16
    CROSS REFERENCES
    1633416 logo

    canSAR1633416

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 827.34
    AlogP 2.79
    HBond donors 7
    HBond acceptors 17
    Atoms 112
    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 canSAR1633416.