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canSAR833150
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)NCCCO)[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/C50H80N2O17/c1-30-18-15-13-11-9-7-5-6-8-10-12-14-16-19-37(68-49-47(63)44(51)46(62)33(4)67-49)27-41-43(48(64)52-22-17-23-53)40(59)29-50(65,69-41)28-39(58)38(57)21-20-34(54)24-35(55)25-36(56)26-42(60)66-32(3)31(2)45(30)61/h5-16,18-19,30-41,43-47,49,53-59,61-63,65H,17,20-29,51H2,1-4H3,(H,52,64)/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15+,19-16+/t30-,31-,32-,33-,34+,35+,36+,37-,38+,39+,40-,41-,43+,44+,45+,46-,47+,49+,50+/m0/s1
    MOLECULAR FORMULA
    C50H80N2O17
    CROSS REFERENCES
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    canSAR833150

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 980.55
    AlogP 0.13
    HBond donors 14
    HBond acceptors 19
    Atoms 149
    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 canSAR833150.