2048617 logo
canSAR2048617
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
    InChI
    InChI=1S/C39H50O24/c1-11-21(43)26(48)30(52)36(56-11)55-10-19-24(46)29(51)35(63-37-31(53)27(49)22(44)12(2)57-37)39(61-19)62-34-25(47)20-16(42)7-15(58-38-32(54)28(50)23(45)18(9-40)60-38)8-17(20)59-33(34)13-3-5-14(41)6-4-13/h3-8,11-12,18-19,21-24,26-32,35-46,48-54H,9-10H2,1-2H3/t11-,12-,18+,19+,21-,22-,23+,24-,26+,27+,28-,29-,30+,31+,32+,35+,36+,37-,38+,39-/m0/s1
    MOLECULAR FORMULA
    C39H50O24
    CROSS REFERENCES
    2048617 logo

    canSAR2048617

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 902.27
    AlogP -5.07
    HBond donors 14
    HBond acceptors 24
    Atoms 113
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2048617.