Table 1.

Compound information.

No.	Parameters	Aspiletrein A	Aspiletrein B	Aspiletrein C
1	MW	857.044	1019.185	1149.328
2	Log P	0.9331	− 1.2427	− 1.3633
3	H-bond acceptor	16	21	24
4	H-bond donors	8	11	12
5	Rotatable bond	7	10	11
6	% Intestinal absorption	63.78	39.771	25.623
7	BBB (log BB)	− 0.28	− 2.125	− 2.533
8	Ames toxicity	No	No	No
9	Hepatotoxicity	No	No	No
10	Max. tolerated dose (mg/kg/day)	0.007	0.122	0.348
11	Drug likeness	N/A	N/A	N/A
12	Oral bioavailability	N/A	N/A	N/A