Javanicoside E
FEATURES
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NAMES
  • Javanicoside E
SMILES
COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)CC(C)C(C)(C)OC(C)=O)C(=O)O[C@@H]3C[C@H]1[C@H](C)C(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
InChI
InChI=1S/C36H50O18/c1-13(33(4,5)54-15(3)38)8-20(39)53-26-28-35-12-49-36(28,32(47)48-7)29(45)25(44)27(35)34(6)10-17(21(40)14(2)16(34)9-19(35)52-30(26)46)50-31-24(43)23(42)22(41)18(11-37)51-31/h10,13-14,16,18-19,22-29,31,37,41-45H,8-9,11-12H2,1-7H3/t13?,14-,16-,18+,19+,22+,23-,24+,25+,26+,27+,28+,29-,31+,34-,35+,36-/m0/s1
MOLECULAR FORMULA
C36H50O18
CROSS REFERENCES
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Javanicoside E
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight770.30
AlogP-1.97
HBond donors6
HBond acceptors18
Atoms104
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Javanicoside E.