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NSC-290494
FEATURES
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NAMES
  • NSC-290494
SMILES
CC(C)=CC(=O)O[C@H]1[C@H]2OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@@]4(O)OC[C@]23[C@H]4[C@]2(C)[C@@H]1C(C)=CC(=O)[C@@H]2O
InChI
InChI=1S/C25H32O9/c1-10(2)6-15(27)33-18-17-11(3)7-14(26)20(30)23(17,5)22-24-9-32-25(22,31)19(29)12(4)13(24)8-16(28)34-21(18)24/h6-7,12-13,17-22,29-31H,8-9H2,1-5H3/t12-,13+,17-,18-,19-,20+,21-,22-,23-,24-,25-/m1/s1
MOLECULAR FORMULA
C25H32O9
CROSS REFERENCES
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NSC-290494

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 476.20
AlogP 0.65
HBond donors 3
HBond acceptors 9
Atoms 66
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 NSC-290494.