Chemoinformaics analysis of Tragopogonsaponin A
| Molecular Weight | 648.834 | nRot | 4 |
| Heavy Atom Molecular Weight | 592.386 | nRig | 34 |
| Exact Molecular Weight | 648.387 | nRing | 6 |
| Solubility: LogS | -3.591 | nHRing | 1 |
| Solubility: LogP | 3.906 | No. of Aliphatic Rings | 6 |
| Acid Count | 2 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 5 |
| Atoms Count | 102 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 46 | No. of Aromatic Carbocycles | 0 |
| nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 4 |
| No. of Hydrogen atom | 56 | No. of Saturated Hetero Cycles | 1 |
| No. of Carbon atom | 36 | No. of Saturated Rings | 5 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 10 | No. of Arom Bond | 0 |
| nHA | 8 | APOL | 105.48 |
| nHD | 6 | BPOL | 61.3876 |
| QED | 0.192 |
| Synth | 5.377 |
| Natural Product Likeliness | 3.081 |
| NR-PPAR-gamma | 0.979 |
| Lipinski | Rejected |
| Pfizer | Accepted |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0.001 |
| Pgp-sub | 0.001 |
| HIA | 0.806 |
| CACO-2 | -5.861 |
| MDCK | 0.0000298 |
| BBB | 0.527 |
| PPB | 0.924764 |
| VDSS | 0.529 |
| FU | 0.0824458 |
| CYP1A2-inh | 0 |
| CYP1A2-sub | 0.163 |
| CYP2c19-inh | 0.002 |
| CYP2c19-sub | 0.631 |
| CYP2c9-inh | 0.008 |
| CYP2c9-sub | 0.813 |
| CYP2d6-inh | 0.002 |
| CYP2d6-sub | 0.121 |
| CYP3a4-inh | 0.027 |
| CYP3a4-sub | 0.02 |
| CL | 1.042 |
| T12 | 0.047 |
| hERG | 0.001 |
| Ames | 0.034 |
| ROA | 0.214 |
| SkinSen | 0.005 |
| Carcinogencity | 0.034 |
| EI | 0.005 |
| Respiratory | 0.907 |
| NR-Aromatase | 0.882 |
| Antiviral | Yes |
| Prediction | 0.818756 |