Table 4. Characteristics of pharmacokinetics of the selected compounds

Parameter	CGG1)	CRA	FGP	RUT
Molecular weight	696.65 g/mol	977.0 g/mol	712.65 g/mol	610.52 g/mol
Num. heavy atoms	49	-	50	43
Num. arom. heavy atoms	6	-	6	16
Num. rotatable bonds	13	18	13	6
Num. H-bond acceptors	17	24	18	16
Num. H-bond donors	8	14	9	10
Class solubility	Very soluble	Water solubility	Very soluble	Soluble
Bioavailability	0.11	-	0.11	0.17
Log Po/w (XLOGP3)		-	−3.09	−0.33
Caco2 permeability	0.264 (log Papp in 10−6 cm/s)	−1.408 (log Papp in 10−6 cm/s)	−0.785 (log Papp in 10−6 cm/s)	−0.949 (log Papp in 10−6 cm/s)
BBB permeant	NO	0.8314	NO	NO
Intestinal absorption	24.972 (% Absorbed)	0 (% Absorbed)	0 (% Absorbed)	23.446 (% Absorbed)
CYP2D6 substrate	NO	NO	NO	NO
CYP2D6 inhibitor	NO	NO	NO	NO
Skin permeability	−12.49 cm/s	−2.735 (log Kp)	−12.84 cm/s	−10.26 cm/s

CGG, Coumaroylgenipin gentiobioside; CRA, crocin A; FGP, feruloylgenipin gentiobioside; RUT, rutin.
Web server: pkCSM (http://biosig.unimelb.edu.au/pkcsm), and swissAdme (http://www.swissadme.ch/) and admetSAR (https://lmmd.ecust.edu.cn/admetsar1/home/).