canSAR855587
FEATURES
Loading...
NAMES
    SMILES
    CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@@H]1OC(CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)C(OS(=O)(=O)[O-])C2O)C(O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)[C@@H]1O.[Na+]
    InChI
    InChI=1S/C48H92O18S.Na/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-34(29-27-25-23-21-19-17-15-13-11-9-7-5-2)32-60-46-42(56)45(65-47-40(54)39(53)37(51)33(3)61-47)43(36(31-50)63-46)64-48-41(55)44(66-67(57,58)59)38(52)35(30-49)62-48;/h33-56H,4-32H2,1-3H3,(H,57,58,59);/q;+1/p-1/t33?,35-,36?,37+,38+,39-,40?,41?,42-,43+,44?,45?,46+,47-,48-;/m0./s1
    MOLECULAR FORMULA
    C48H91NaO18S
    CROSS REFERENCES
    Loading...
    canSAR855587
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1010.58
    AlogP1.77
    HBond donors8
    HBond acceptors18
    Atoms159
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR855587.