830581 logo
canSAR830581
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C3CCCC3)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
    InChI
    InChI=1S/C51H57NO14/c1-28-34(64-47(60)39(55)38(30-17-9-6-10-18-30)52-44(57)31-19-11-7-12-20-31)26-51(61)43(65-45(58)32-21-13-8-14-22-32)41-49(5,42(56)40(63-29(2)53)37(28)48(51,3)4)35(54)25-36-50(41,27-62-36)66-46(59)33-23-15-16-24-33/h6-14,17-22,33-36,38-41,43,54-55,61H,15-16,23-27H2,1-5H3,(H,52,57)/t34-,35-,36+,38-,39+,40+,41-,43-,49+,50-,51+/m0/s1
    MOLECULAR FORMULA
    C51H57NO14
    CROSS REFERENCES
    830581 logo

    canSAR830581

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 907.38
    AlogP 4.91
    HBond donors 4
    HBond acceptors 15
    Atoms 123
    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 canSAR830581.