Table 2.

Total score of CPs docked with GSH-Px and their C log P

Number1	Position2	Total_score	C log P	Position2	Total_score	C log P
0	–	3.75	− 4.38
1	2′	4.04	− 3.36	6′	5.31	− 3.60
	3′	6.16	− 3.00	103	4.98	− 2.95
	4′	5.00	− 4.31	6	4.70	− 2.95
2	4′, 6′	5.28	− 2.88	4′, 10	5.67	− 2.88
	2′, 6′	4.83	− 2.88	2′, 3′	5.68	− 2.28
	3′, 6′	5.24	− 2.23	3′, 6	6.14	− 1.57
	6′, 103	5.35	− 2.17	3′, 10	6.11	− 1.57
	6′, 6	5.93	− 2.17	2′, 10	8.25	− 2.22
	3′, 4′	5.72	− 2.93	2′, 6	5.56	− 2.22
	2′, 4′	7.80	− 2.93	6, 10	5.24	− 1.52
	4′, 6	5.24	− 2.88
3	4′, 6′, 10	6.73	− 1.45	2′, 4′, 6	6.51	− 1.50
	3′, 4′, 6′	6.55	− 1.50	2′, 3′, 4′	6.73	− 1.55
	2′, 4′, 6′	6.08	− 1.50	3′, 4′, 6	6.38	− 1.50
	4′, 6′, 6	7.69	− 1.45	3′, 4′, 10	6.19	− 1.50
	3′, 6′, 6	8.33	− 0.80	4′, 6, 10	7.15	− 1.45
	3′, 6′, 10	7.65	− 0.80	3′, 6, 10	5.74	− 0.14
	2′, 3′, 6′	6.41	− 1.50	2′, 3′, 6	6.24	− 0.85
	2′, 6′, 6	6.96	− 1.45	2′, 3′, 10	6.48	− 0.85
	2′, 6′, 10	6.67	− 1.45	2′, 6, 10	6.58	− 0.80
	2′, 4′, 10	6.25	− 1.50	6′, 6, 103	7.16	− 0.74
4	2′, 6′, 6, 10	7.25	− 0.02	2′, 4′, 6, 10	6.56	− 0.07
	2′, 3′, 4′, 6′	5.31	− 0.12	3′, 4′, 6, 10	8.06	− 0.07
	3′, 4′, 6′, 6	7.45	− 0.07	2′, 3′, 6, 10	7.18	0.58
	3′, 4′, 6′, 10	9.19	− 0.07	2′, 4′, 6′, 6	6.62	− 0.07
	2′, 3′, 6′, 10	7.15	− 0.07	2′, 4′, 6′, 10	8.15	− 0.07
	2′, 3′, 6′, 6	5.92	− 0.07	4′, 6′, 6, 103	7.34	− 0.01
	2′, 3′, 4′, 6	5.46	− 0.12	3′, 6′, 6, 10	6.35	0.64
	2′, 3′, 4′, 10	7.36	− 0.12
5	2′, 3′, 6′, 6, 10	7.90	1.36	2′, 4′, 6′, 6, 10	8.02	1.36
	2′, 3′, 4′, 6′, 6	7.38	1.31	2′, 3′, 4′, 6, 10	7.89	1.31
	2′, 3′, 4′, 6′, 10	9.00	1.31	3′, 4′, 6′, 6, 103	7.97	1.36
6	2′, 3′, 4′, 6′, 6, 10	9.88	2.74

¹Number of propionylated hydroxyl groups in CP

²Positions of propionylated hydroxyl groups in CP

³The isomer with minimum molecular energy