Ingredient ID: NPC88278
Formula: C6H12O6
Ingredient ID: NPC64915
Formula: C26H30O5
Ingredient ID: NPC298692
Formula: C30H36O6
Ingredient ID: NPC262039
Formula: C25H28O6
Ingredient ID: NPC230463
Formula: C30H48O3
Ingredient ID: NPC228504
Formula: C25H28O5
Ingredient ID: NPC213896
Formula: C25H28O6
Ingredient ID: NPC185276
Formula: C30H36O5
Ingredient ID: NPC125855
Formula: C25H28O5
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC125855 | C25H28O5 | Macarangaflavanone B | 408.19 | 1.9404 | 3.66 | 3.837 | 1 | 3 | 86.99 | 12 | 3 | 30 | 0 |
NPC185276 | C30H36O5 | 476.26 | 3.1726 | 4.21 | 5.659 | 1 | 3 | 86.99 | 16 | 3 | 35 | 1 | |
NPC213896 | C25H28O6 | Nymphaeol A | 424.19 | 0.8349 | 3.55 | 3.655 | 1 | 4 | 107.22 | 13 | 3 | 31 | 0 |
NPC228504 | C25H28O5 | Bonannione A | 408.19 | 1.2952 | 3.66 | 4.189 | 1 | 3 | 86.99 | 12 | 3 | 30 | 0 |
NPC230463 | C30H48O3 | 456.3603454 | 2.3495 | 4.43 | 9.407 | 3 | 2 | 57.53 | 2 | 5 | 33 | 1 | |
NPC262039 | C25H28O6 | Bonanniol A | 424.19 | 0.643 | 3.55 | 3.854 | 2 | 4 | 107.22 | 13 | 3 | 31 | 0 |
NPC298692 | C30H36O6 | 492.25 | 2.7123 | 4.1 | 5.125 | 1 | 4 | 107.22 | 17 | 3 | 36 | 1 | |
NPC64915 | C26H30O5 | 422.21 | 1.7037 | 3.77 | 4.708 | 1 | 2 | 75.99 | 13 | 3 | 31 | 0 | |
NPC88278 | C6H12O6 | Inositol | 180.06 | -3.0642 | 1.46 | -1.458 | 6 | 6 | 121.38 | 6 | 1 | 12 | 1 |