Figure 8
From: Theoretical study on the glycosidic C–C bond cleavage of 3’’-oxo-puerarin
Molecular structures and orbitals (HOMO) of 2’’C-dehydro-3’’-oxo-puerarin (2a2C) and transition state complex 1 (TS1). HOMO of 2a2C has σ-character bonding orbital, while HOMO of the first TS complex has π-antibonding orbital at the C8–C1’’ bond.
