canSAR1087171
FEATURES
Loading...
NAMES
    SMILES
    CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](OC(=O)C3CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=O
    InChI
    InChI=1S/C61H112N2O22/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-40(31-29-27-25-23-21-19-17-15-13-11-9-7-2)36-78-59-47(63-39(5)68)56(85-60-52(75)51(74)48(71)37(3)79-60)54(45(35-66)82-59)84-61-53(76)57(50(73)44(34-65)81-61)83-58(77)43-32-41(69)46(62-38(4)67)55(80-43)49(72)42(70)33-64/h37,40-57,59-61,64-66,69-76H,6-36H2,1-5H3,(H,62,67)(H,63,68)/t37-,41?,42?,43?,44-,45-,46?,47-,48+,49?,50-,51-,52-,53-,54+,55?,56+,57-,59+,60-,61-/m0/s1
    MOLECULAR FORMULA
    C61H112N2O22
    CROSS REFERENCES
    Loading...
    canSAR1087171
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1224.77
    AlogP2.71
    HBond donors13
    HBond acceptors24
    Atoms197
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087171.