Ingredient ID: NPC9609
Formula: C18H16O8
Ingredient ID: NPC56786
Formula: C21H20O7
Ingredient ID: NPC25495
Formula: C19H18O8
Ingredient ID: NPC239523
Formula: C37H32O14
Ingredient ID: NPC237946
Formula: C22H22O8
Ingredient ID: NPC174734
Formula: C22H18O8
Ingredient ID: NPC16776
Formula: C36H30O15
Ingredient ID: NPC163527
Formula: C21H20O8
Ingredient ID: NPC115281
Formula: C22H22O8
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC115281 | C22H22O8 | Beta-Peltatin A | 414.13 | -1.129 | 3 | 1.326 | 2 | 1 | 92.68 | 8 | 5 | 30 | 0 |
NPC163527 | C21H20O8 | 400.1158176 | -1.5375 | 2.89 | 0.807 | 2 | 2 | 103.68 | 7 | 5 | 29 | 0 | |
NPC16776 | C36H30O15 | 702.1584703 | -3.6928 | 3.77 | 2.326 | 15 | 9 | 253.13 | 7 | 6 | 51 | 1 | |
NPC174734 | C22H18O8 | Dehydropodophyllotoxin | 410.1 | -0.9979 | 3 | 1.573 | 2 | 1 | 92.68 | 8 | 5 | 30 | 0 |
NPC237946 | C22H22O8 | Podofilox | 414.13 | -1.5006 | 3 | 1.259 | 3 | 1 | 92.68 | 8 | 5 | 30 | 0 |
NPC239523 | C37H32O14 | 700.1792057 | -2.5905 | 3.99 | 2.972 | 14 | 8 | 232.9 | 7 | 6 | 51 | 1 | |
NPC25495 | C19H18O8 | Casticin | 374.1 | -1.9715 | 2.67 | 1.438 | 2 | 2 | 103.68 | 11 | 3 | 27 | 0 |
NPC56786 | C21H20O7 | Podoverine A | 384.12 | -0.8593 | 3 | 2.743 | 2 | 4 | 116.45 | 11 | 3 | 28 | 0 |
NPC9609 | C18H16O8 | Centaureidin | 360.08 | -2.38 | 2.56 | 0.919 | 2 | 3 | 114.68 | 10 | 3 | 26 | 0 |