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Trioxacarcin D
FEATURES
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NAMES
  • Trioxacarcin D
SMILES
COc1c2c(c(O)c3c4c(c(C)cc13)[C@@H]1O[C@@]3(C(OC)OC)O[C@@H]1[C@@](O[C@H]1C[C@@H](O)[C@@](O)(C(C)=O)[C@H](C)O1)(O4)[C@@]31CO1)C(=O)[C@@H](O)C[C@@H]2O[C@H]1C[C@@](C)(O)[C@H](O)[C@H](C)O1
InChI
InChI=1S/C40H50O19/c1-14-9-18-25(29(45)27-26(30(18)49-6)20(10-19(42)28(27)44)55-23-12-36(5,47)33(46)15(2)53-23)31-24(14)32-34-39(57-31,37(13-52-37)40(58-32,59-34)35(50-7)51-8)56-22-11-21(43)38(48,16(3)41)17(4)54-22/h9,15,17,19-23,32-35,42-43,45-48H,10-13H2,1-8H3/t15-,17-,19-,20-,21+,22-,23-,32-,33+,34-,36+,37-,38+,39+,40-/m0/s1
MOLECULAR FORMULA
C40H50O19
CROSS REFERENCES
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Trioxacarcin D

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 834.29
AlogP 0.59
HBond donors 6
HBond acceptors 19
Atoms 109
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Trioxacarcin D.