canSAR1087594
FEATURES
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NAMES
    SMILES
    OC[C@@H]1O[C@H](Oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(-c3c4nc(c(-c5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5)c5nc(c(-c6cc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)c6)c6ccc([nH]6)c(-c6cc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)c6)c6ccc3[nH]6)CC5)C=C4)c2)[C@@H](O)[C@H](O)[C@H]1O
    InChI
    InChI=1S/C92H112N4O48/c97-21-49-61(105)69(113)77(121)85(137-49)129-33-9-29(10-34(17-33)130-86-78(122)70(114)62(106)50(22-98)138-86)57-41-1-2-42(93-41)58(30-11-35(131-87-79(123)71(115)63(107)51(23-99)139-87)18-36(12-30)132-88-80(124)72(116)64(108)52(24-100)140-88)44-5-6-46(95-44)60(32-15-39(135-91-83(127)75(119)67(111)55(27-103)143-91)20-40(16-32)136-92-84(128)76(120)68(112)56(28-104)144-92)48-8-7-47(96-48)59(45-4-3-43(57)94-45)31-13-37(133-89-81(125)73(117)65(109)53(25-101)141-89)19-38(14-31)134-90-82(126)74(118)66(110)54(26-102)142-90/h1-6,9-20,49-56,61-94,97-128H,7-8,21-28H2/b57-41-,57-43-,58-42-,58-44-,59-45-,59-47-,60-46-,60-48-/t49-,50-,51+,52+,53-,54-,55-,56-,61-,62-,63+,64+,65-,66-,67-,68-,69+,70+,71-,72-,73+,74+,75+,76+,77-,78-,79+,80+,81-,82-,83-,84-,85-,86-,87+,88+,89-,90-,91-,92-/m1/s1
    MOLECULAR FORMULA
    C92H112N4O48
    CROSS REFERENCES
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    canSAR1087594
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2040.64
    AlogP-11.63
    HBond donors34
    HBond acceptors52
    Atoms256
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087594.