1687495 logo
canSAR1687495
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=S(=O)(O)OCC1O[C@H]2O[C@@H]3C(COS(=O)(=O)O)O[C@H](O[C@@H]4C(COS(=O)(=O)O)O[C@H](O[C@@H]5C(COS(=O)(=O)O)O[C@H](O[C@@H]6C(COS(=O)(=O)O)O[C@@H](O[C@@H]7C(COS(=O)(=O)O)O[C@H](O[C@@H]8C(COS(=O)(=O)O)O[C@H](O[C@H]1C(OS(=O)(=O)O)C2O)C(OCc1ccccc1)C8OS(=O)(=O)O)C(O)C7OS(=O)(=O)O)C(OCc1ccccc1)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OCc1ccccc1)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O
    InChI
    InChI=1S/C63H88O83S16/c64-36-45(138-154(87,88)89)38-29(19-117-147(66,67)68)124-57(36)131-40-31(21-119-149(72,73)74)126-59(52(47(40)140-156(93,94)95)114-16-26-10-4-1-5-11-26)133-39-30(20-118-148(69,70)71)125-58(37(65)46(39)139-155(90,91)92)132-43-34(24-122-152(81,82)83)129-62(55(145-161(108,109)110)50(43)143-159(102,103)104)136-42-33(23-121-151(78,79)80)128-61(54(49(42)142-158(99,100)101)116-18-28-14-8-3-9-15-28)135-44-35(25-123-153(84,85)86)130-63(56(146-162(111,112)113)51(44)144-160(105,106)107)137-41-32(22-120-150(75,76)77)127-60(134-38)53(48(41)141-157(96,97)98)115-17-27-12-6-2-7-13-27/h1-15,29-65H,16-25H2,(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)(H,111,112,113)/t29?,30?,31?,32?,33?,34?,35?,36?,37?,38-,39-,40-,41-,42-,43-,44-,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59-,60+,61-,62-,63-/m1/s1
    MOLECULAR FORMULA
    C63H88O83S16
    CROSS REFERENCES
    1687495 logo

    canSAR1687495

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2683.82
    AlogP -11.32
    HBond donors 18
    HBond acceptors 83
    Atoms 250
    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 canSAR1687495.