canSAR824453
FEATURES
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NAMES
    SMILES
    C/C=C/CO[C@@H]1CC[C@@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@@H]3C)C[C@H]1O
    InChI
    InChI=1S/C46H73NO12/c1-10-12-19-57-38-17-16-32(25-37(38)50)23-29(5)41-31(7)35(48)26-36(49)33(11-2)21-27(3)20-28(4)22-39(55-8)42-40(56-9)24-30(6)46(54,59-42)43(51)44(52)47-18-14-13-15-34(47)45(53)58-41/h10,12,21,23,28,30-35,37-42,48,50,54H,11,13-20,22,24-26H2,1-9H3/b12-10+,27-21+,29-23+/t28-,30-,31+,32-,33+,34-,35-,37+,38+,39-,40-,41+,42+,46?/m0/s1
    MOLECULAR FORMULA
    C46H73NO12
    CROSS REFERENCES
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    canSAR824453
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight831.51
    AlogP5.42
    HBond donors3
    HBond acceptors13
    Atoms132
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824453.