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Caesalmin D
FEATURES
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NAMES
  • caesalmin D
SMILES
CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@H](Cc4occc4[C@]3(C)O)[C@@]12C
InChI
InChI=1S/C26H36O9/c1-13(27)33-19-8-10-23(4,5)26(31)22(35-15(3)29)21(34-14(2)28)20-17(24(19,26)6)12-18-16(9-11-32-18)25(20,7)30/h9,11,17,19-22,30-31H,8,10,12H2,1-7H3/t17-,19-,20-,21+,22-,24-,25-,26+/m0/s1
MOLECULAR FORMULA
C26H36O9
CROSS REFERENCES
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Caesalmin D

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 492.24
AlogP 2.64
HBond donors 2
HBond acceptors 9
Atoms 71
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Caesalmin D.