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ER-076349
FEATURES
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NAMES
  • ER-076349
SMILES
C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6C(O[C@H]7CC[C@H](CC(=O)C[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@H](C[C@H](O)CO)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4
InChI
InChI=1S/C40H58O12/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,41,43H,2-3,5-18H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33+,34-,35+,36+,37?,38-,39+,40+/m1/s1
MOLECULAR FORMULA
C40H58O12
CROSS REFERENCES
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ER-076349

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 730.39
AlogP 3.47
HBond donors 2
HBond acceptors 12
Atoms 110
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 ER-076349.