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canSAR834195
FEATURES
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NAMES
    SMILES
    CC(C)CCC(=O)[C@@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C37H60O12/c1-18(2)6-9-25(39)19(3)37(45)28(48-34-31(44)32(27(41)17-47-34)49-33-30(43)29(42)26(40)16-46-33)15-24-22-8-7-20-14-21(38)10-12-35(20,4)23(22)11-13-36(24,37)5/h7,18-19,21-24,26-34,38,40-45H,6,8-17H2,1-5H3/t19-,21+,22-,23+,24+,26-,27+,28+,29+,30-,31-,32+,33+,34+,35+,36+,37-/m1/s1
    MOLECULAR FORMULA
    C37H60O12
    CROSS REFERENCES
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    canSAR834195

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 696.41
    AlogP 1.58
    HBond donors 7
    HBond acceptors 12
    Atoms 109
    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 canSAR834195.