Agnoside

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Agnoside Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C(OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12)C1=CC=C(O)C(=O)C1=O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C(=O)C2(C(=O)OCC3=CC(O)C4C=COC(OC5OC(CO)C(O)C(O)C5O)C34)OC2C=C1O UGT Conjugation prediction

Generation 3

glucuronidation · 0.28

*OC1=CC2OC2(C(=O)OCC2=CC(O)C3C=COC(OC4OC(CO)C(O)C(O)C4O)C23)C(=O)C1=O |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|