canSAR824069
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5OC[C@@H](O)[C@H](O[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H]5O)[C@H](O)C[C@]34C)C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
    InChI
    InChI=1S/C75H121NO39/c1-28(80)76-42-47(90)56(112-65-51(94)48(91)45(88)35(19-77)106-65)37(25-104-61-52(95)54(33(83)23-100-61)110-62-49(92)43(86)31(81)21-101-62)108-60(42)109-41-12-13-71(6)38(70(41,4)5)11-14-72(7)39(71)10-9-29-30-17-69(2,3)15-16-75(30,40(85)18-73(29,72)8)68(98)115-66-58(57(46(89)36(20-78)107-66)113-63-50(93)44(87)32(82)22-102-63)114-64-53(96)55(34(84)24-103-64)111-67-59(97)74(99,26-79)27-105-67/h9,30-67,77-79,81-97,99H,10-27H2,1-8H3,(H,76,80)/t30-,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-,64-,65-,66-,67-,71-,72+,73+,74+,75+/m0/s1
    MOLECULAR FORMULA
    C75H121NO39
    CROSS REFERENCES
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    canSAR824069
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1659.75
    AlogP-8.43
    HBond donors22
    HBond acceptors40
    Atoms236
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824069.