canSAR636227
FEATURES
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NAMES
    SMILES
    CC1OC(OC2C(OC(=O)[C@]34CCC(C)(C)CC3C3=CCC5[C@@]6(C)C[C@H](O)[C@H](OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)[C@@](C)(C(=O)O)C6CC[C@@]5(C)C3(C)CC4)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O
    InChI
    InChI=1S/C58H92O28/c1-22-43(83-47-39(70)32(63)26(61)19-77-47)38(69)42(73)48(80-22)84-44-33(64)27(62)20-78-50(44)86-52(76)58-14-12-53(2,3)16-24(58)23-8-9-30-54(4)17-25(60)45(57(7,51(74)75)31(54)10-11-56(30,6)55(23,5)13-15-58)85-49-41(72)37(68)35(66)29(82-49)21-79-46-40(71)36(67)34(65)28(18-59)81-46/h8,22,24-50,59-73H,9-21H2,1-7H3,(H,74,75)/t22?,24?,25-,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45-,46?,47?,48?,49?,50?,54+,55?,56+,57-,58-/m0/s1
    MOLECULAR FORMULA
    C58H92O28
    CROSS REFERENCES
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    canSAR636227
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1236.58
    AlogP-3.87
    HBond donors16
    HBond acceptors28
    Atoms178
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR636227.