Skip to main content

Table 1 The chemical information of active ingredients from THH

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

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