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Table 1
Absorption and permeation computation of the eight lupane-type triterpenes.
| Compound | MW (Da) | MlogP | H-bond acceptors | H-bond donors | Lipinski compliant | GI absorption | BBB permeant |
|---|---|---|---|---|---|---|---|
| Betulin | 442.72 | 6.00 | 2 | 2 | Yes | Low | No |
| Betulinaldehyde | 440.70 | 5.89 | 2 | 1 | Yes | Low | No |
| Betulinic acid | 456.70 | 5.82 | 3 | 2 | Yes | Low | No |
| Betulone | 440.70 | 5.89 | 2 | 1 | Yes | Low | No |
| Lupeol | 426.72 | 6.92 | 1 | 1 | Yes | Low | No |
| Lupenone | 424.70 | 6.82 | 1 | 0 | Yes | Low | No |
| Betulonic acid | 454.68 | 5.73 | 3 | 1 | Yes | Low | No |
| Betulonic acid methyl ester | 468.71 | 5.92 | 3 | 0 | Yes | Low | No |
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