canSAR174641
FEATURES
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NAMES
    SMILES
    COc1cc(C(=O)O[C@H]2[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C4=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c5ccccc5)c5ccccc5)C[C@]2(O)C4(C)C)[C@@H](O)C[C@H]2OC[C@]23OC(C)=O)cc(OC)c1OC
    InChI
    InChI=1S/C50H57NO17/c1-25-33(66-46(59)38(55)37(28-16-12-10-13-17-28)51-44(57)29-18-14-11-15-19-29)23-50(60)43(67-45(58)30-20-31(61-7)39(63-9)32(21-30)62-8)41-48(6,34(54)22-35-49(41,24-64-35)68-27(3)53)42(56)40(65-26(2)52)36(25)47(50,4)5/h10-21,33-35,37-38,40-41,43,54-55,60H,22-24H2,1-9H3,(H,51,57)/t33-,34-,35+,37-,38+,40+,41-,43-,48+,49-,50+/m0/s1
    MOLECULAR FORMULA
    C50H57NO17
    CROSS REFERENCES
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    canSAR174641
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight943.36
    AlogP3.76
    HBond donors4
    HBond acceptors18
    Atoms125
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR174641.