canSAR868690
FEATURES
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C47H78O14/c1-22(2)24-12-15-44(6)18-19-46(8)25(31(24)44)10-11-29-45(7)16-14-30(43(4,5)28(45)13-17-47(29,46)9)59-42-39(61-41-37(55)35(53)32(50)23(3)57-41)38(34(52)27(20-48)58-42)60-40-36(54)33(51)26(49)21-56-40/h23-42,48-55H,1,10-21H2,2-9H3/t23-,24-,25+,26+,27+,28-,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,44+,45-,46+,47+/m0/s1
    MOLECULAR FORMULA
    C47H78O14
    CROSS REFERENCES
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    canSAR868690
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight866.54
    AlogP3.16
    HBond donors8
    HBond acceptors14
    Atoms139
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR868690.