Agnoside

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Agnoside Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C(OCC12OC1C(O)C1C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccc(O)cc1 Quinonation prediction

Generation 2

quinone formation · 0.04

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=CC(C(=O)OCC23OC2C(O)C2C=COC(OC4OC(CO)C(O)C(O)C4O)C23)=CC1=O