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canSAR781130
FEATURES
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NAMES
    SMILES
    C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)NCCCN(C)C)[C@H](C[C@@H](O[C@H]3O[C@@H](C)[C@H](O)[C@@H](N)[C@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2
    InChI
    InChI=1S/C52H85N3O16/c1-32-20-17-15-13-11-9-7-8-10-12-14-16-18-21-39(70-51-49(65)46(53)48(64)35(4)69-51)29-43-45(50(66)54-24-19-25-55(5)6)42(61)31-52(67,71-43)30-41(60)40(59)23-22-36(56)26-37(57)27-38(58)28-44(62)68-34(3)33(2)47(32)63/h7-18,20-21,32-43,45-49,51,56-61,63-65,67H,19,22-31,53H2,1-6H3,(H,54,66)/b8-7+,11-9+,12-10+,15-13+,16-14+,20-17+,21-18+/t32-,33-,34-,35-,36+,37+,38+,39-,40+,41+,42-,43-,45+,46+,47+,48-,49+,51+,52+/m0/s1
    MOLECULAR FORMULA
    C52H85N3O16
    CROSS REFERENCES
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    canSAR781130

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1007.59
    AlogP 0.70
    HBond donors 13
    HBond acceptors 19
    Atoms 156
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR781130.