1634204 logo
canSAR1634204
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)O[C@H]1[C@H](C)O[C@@H](OC[C@]2(C)[C@@H](OC(C)=O)C[C@H](O)[C@]3(C)[C@H]4CC=C5[C@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]23)[C@H](O)[C@@H]1OC(C)=O
    InChI
    InChI=1S/C42H64O12/c1-22-33(53-24(3)44)34(54-25(4)45)32(47)35(51-22)50-21-39(7)28-13-14-41(9)29(42(28,10)30(46)19-31(39)52-23(2)43)12-11-26-27-20-38(6,36(48)49)16-15-37(27,5)17-18-40(26,41)8/h11,22,27-35,46-47H,12-21H2,1-10H3,(H,48,49)/t22-,27+,28-,29-,30-,31-,32+,33-,34-,35+,37+,38+,39-,40+,41+,42-/m0/s1
    MOLECULAR FORMULA
    C42H64O12
    CROSS REFERENCES
    1634204 logo

    canSAR1634204

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 760.44
    AlogP 5.74
    HBond donors 3
    HBond acceptors 12
    Atoms 118
    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 canSAR1634204.