Network pharmacology modeling identifies synergistic interaction of therapeutic and toxicological mechanisms for Tripterygium hypoglaucum Hutch

Table 1 The chemical information of active ingredients from THH

Chemical name	Chemical formula	Molecular weight	ALogP	Num. H-bond acceptors	Num. H-bond donors	Num. rotatable bonds	Consensus Log Po/w	Log S (ESOL)	Log Kp (cm/s)	Bioavailability Score
Hypodiolide A (Tripterifordin)	C₂₀H₃₀O₃	318.45	3.248	3	1	0	3.63	−4.23	−5.52	0.55
Hypolide (Triptophenolide)	C₂₀H₂₄O₃	312.4028	4.63	2	1	1	3.91	−4.46	−5.33	0.55
L-Epigallocatechin	C₁₅H₁₄O₇	306.267	1.779	0	0	1	0.42	−2.08	−8.17	0.55
Tripdiolide	C₂₀H₂₄O₇	376.4	−0.23	0	0	1	0.90	−1.55	−9.23	0.55
Triptolide	C₂₀H₂₄O₆	360.401	0.872	0	0	1	1.71	−2.15	−8.34	0.55
Triptonide	C₂₀H₂₂O₆	358.385	1.259	0	0	1	1.93	−2.41	−8.02	0.55
Triptonoterpenol	C₂₁H₃₀O₄	346.461	3.895	4	2	3	3.63	−4.59	−5.45	0.55
Celastrol (tripterine)	C₂₉H₃₈O₄	450.619	5.9	4	2	1	5.12	−6.31	−4.83	0.85

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