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Khelloside
FEATURES
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NAMES
  • Khelloside
SMILES
COc1c2ccoc2cc2oc(CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(=O)c12
InChI
InChI=1S/C19H20O10/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3/t13-,15-,16+,17-,19-/m0/s1
MOLECULAR FORMULA
C19H20O10
CROSS REFERENCES
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Khelloside

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 408.11
AlogP -0.14
HBond donors 4
HBond acceptors 10
Atoms 49
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 Khelloside.