canSAR819678
FEATURES
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NAMES
    SMILES
    CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2OC(O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4ccco4)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@@H](C)C[C@@H]2OC
    InChI
    InChI=1S/C47H71NO13/c1-9-33-20-27(2)19-28(3)21-40(56-7)43-41(57-8)23-30(5)47(55,61-43)44(52)45(53)48-17-11-10-14-35(48)46(54)60-42(31(6)36(49)25-37(33)50)29(4)22-32-15-16-39(38(51)24-32)59-26-34-13-12-18-58-34/h12-13,18,20,22,28,30-33,35-36,38-43,49,51,55H,9-11,14-17,19,21,23-26H2,1-8H3/b27-20+,29-22+/t28-,30-,31+,32-,33+,35-,36-,38+,39+,40-,41-,42+,43+,47?/m0/s1
    MOLECULAR FORMULA
    C47H71NO13
    CROSS REFERENCES
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    canSAR819678
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight857.49
    AlogP5.64
    HBond donors3
    HBond acceptors14
    Atoms132
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR819678.