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canSAR830007
FEATURES
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NAMES
    SMILES
    CO[C@H]1C[C@@H](O[C@H]2[C@H](C)O[C@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C(C)=O)[C@H](O)[C@@H](O)[C@]65O)C4)[C@H](O)[C@H]3OC)C[C@H]2O)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1
    InChI
    InChI=1S/C48H80O18/c1-21(49)36-38(52)44(54)48(55)29-12-11-26-17-27(13-15-46(26,6)28(29)14-16-47(36,48)7)63-45-39(53)43(58-10)42(25(5)62-45)66-33-18-30(50)40(23(3)60-33)64-35-20-32(57-9)41(24(4)61-35)65-34-19-31(56-8)37(51)22(2)59-34/h22-45,50-55H,11-20H2,1-10H3/t22-,23+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33-,34+,35-,36+,37-,38+,39-,40+,41+,42-,43-,44-,45+,46+,47-,48-/m1/s1
    MOLECULAR FORMULA
    C48H80O18
    CROSS REFERENCES
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    canSAR830007

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 944.53
    AlogP 2.11
    HBond donors 6
    HBond acceptors 18
    Atoms 146
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR830007.