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Negundoside
FEATURES
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NAMES
  • Negundoside
SMILES
C[C@]1(O)CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)c3ccc(O)cc3)[C@@H]21
InChI
InChI=1S/C23H28O12/c1-23(31)7-6-12-13(19(28)29)9-32-21(15(12)23)35-22-18(17(27)16(26)14(8-24)33-22)34-20(30)10-2-4-11(25)5-3-10/h2-5,9,12,14-18,21-22,24-27,31H,6-8H2,1H3,(H,28,29)/t12-,14-,15-,16-,17+,18-,21+,22+,23+/m1/s1
MOLECULAR FORMULA
C23H28O12
CROSS REFERENCES
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Negundoside

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 496.16
AlogP -0.52
HBond donors 6
HBond acceptors 12
Atoms 63
Contains toxicophore No
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Negundoside.