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Robustaside E
FEATURES
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NAMES
  • Robustaside E
SMILES
O=C(/C=C/C1(O)C=CC(O)CC1=O)OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C21H24O11/c22-11-1-3-13(4-2-11)31-20-19(28)18(27)17(26)14(32-20)10-30-16(25)6-8-21(29)7-5-12(23)9-15(21)24/h1-8,12,14,17-20,22-23,26-29H,9-10H2/b8-6+/t12?,14-,17-,18+,19-,20-,21?/m1/s1
MOLECULAR FORMULA
C21H24O11
CROSS REFERENCES
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Robustaside E

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 452.13
AlogP -1.70
HBond donors 6
HBond acceptors 11
Atoms 56
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 Robustaside E.