canSAR1417510
FEATURES
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NAMES
    SMILES
    C=C1[C@@H]([C@@H](O)C[C@H](C)C2O[C@@]3(CCCCO3)CC[C@H]2C)OC2CC[C@@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)OC2[C@@H]1O
    InChI
    InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30?,31+,32+,33?,34?,35-,36-,37?,38+,39?,41-,42+,43?,44?/m1/s1
    MOLECULAR FORMULA
    C44H68O13
    CROSS REFERENCES
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    canSAR1417510
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight804.47
    AlogP5.21
    HBond donors5
    HBond acceptors13
    Atoms125
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417510.