Chemoinformaics analysis of Notoginsenoside R2
| Molecular Weight | 770.998 | nRot | 9 |
| Heavy Atom Molecular Weight | 700.438 | nRig | 29 |
| Exact Molecular Weight | 770.482 | nRing | 6 |
| Solubility: LogS | -4.718 | nHRing | 2 |
| Solubility: LogP | 5.491 | No. of Aliphatic Rings | 6 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
| Atoms Count | 124 | No. of Aliphatic Hetero Cycles | 2 |
| No. of Heavy Atom | 54 | No. of Aromatic Carbocycles | 0 |
| nHetero | 13 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 4 |
| No. of Hydrogen atom | 70 | No. of Saturated Hetero Cycles | 2 |
| No. of Carbon atom | 41 | No. of Saturated Rings | 6 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 13 | No. of Arom Bond | 0 |
| nHA | 13 | APOL | 125.572 |
| nHD | 9 | BPOL | 77.1685 |
| QED | 0.47 |
| Synth | 6.671 |
| Natural Product Likeliness | 3.377 |
| NR-PPAR-gamma | 0.018 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.887 |
| Pgp-sub | 0.001 |
| HIA | 0.016 |
| CACO-2 | -5.044 |
| MDCK | 0.0000313 |
| BBB | 0.471 |
| PPB | 0.98275 |
| VDSS | 1.379 |
| FU | 0.0241026 |
| CYP1A2-inh | 0.005 |
| CYP1A2-sub | 0.649 |
| CYP2c19-inh | 0.064 |
| CYP2c19-sub | 0.94 |
| CYP2c9-inh | 0.141 |
| CYP2c9-sub | 0.092 |
| CYP2d6-inh | 0.013 |
| CYP2d6-sub | 0.339 |
| CYP3a4-inh | 0.416 |
| CYP3a4-sub | 0.506 |
| CL | 23.912 |
| T12 | 0.019 |
| hERG | 0.012 |
| Ames | 0.047 |
| ROA | 0.716 |
| SkinSen | 0.488 |
| Carcinogencity | 0.027 |
| EI | 0.014 |
| Respiratory | 0.946 |
| NR-Aromatase | 0.768 |
| Antiviral | Yes |
| Prediction | 0.842757 |