Ingredient ID: NPC82190
Formula: C25H26O9
Ingredient ID: NPC3449
Formula: C22H22O10
Ingredient ID: NPC283480
Formula: C27H28O10
Ingredient ID: NPC282923
Formula: C15H10O4
Ingredient ID: NPC209393
Formula: C22H22O9
Ingredient ID: NPC208651
Formula: C27H28O11
Ingredient ID: NPC206641
Formula: C27H28O11
Ingredient ID: NPC205172
Formula: C22H22O9
Ingredient ID: NPC192219
Formula: C25H26O9
Ingredient ID: NPC174599
Formula: C25H26O9
Ingredient ID: NPC148323
Formula: C27H28O10
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC148323 | C27H28O10 | Alvaradoin G | 512.17 | -0.5402 | 3.33 | 2.074 | 8 | 4 | 159.82 | 14 | 4 | 37 | 0 |
NPC174599 | C25H26O9 | Alvaradoin K | 470.16 | -0.9193 | 3.22 | 1.763 | 7 | 5 | 153.75 | 12 | 4 | 34 | 0 |
NPC192219 | C25H26O9 | Alvaradoin L | 470.16 | -0.9193 | 3.22 | 1.763 | 7 | 5 | 153.75 | 12 | 4 | 34 | 0 |
NPC205172 | C22H22O9 | Alvaradoin F | 430.13 | -2.3589 | 2.89 | 1.314 | 7 | 5 | 153.75 | 10 | 4 | 31 | 0 |
NPC206641 | C27H28O11 | Alvaradoin J | 528.16 | -1.1545 | 3.22 | 0.742 | 9 | 5 | 180.05 | 15 | 4 | 38 | 0 |
NPC208651 | C27H28O11 | Alvaradoin I | 528.16 | -1.1545 | 3.22 | 0.742 | 9 | 5 | 180.05 | 15 | 4 | 38 | 0 |
NPC209393 | C22H22O9 | Alvaradoin E | 430.13 | -2.3589 | 2.89 | 1.314 | 7 | 5 | 153.75 | 10 | 4 | 31 | 0 |
NPC282923 | C15H10O4 | Chrysophanol | 254.06 | -0.8062 | 2.67 | 1.627 | 2 | 2 | 74.6 | 3 | 3 | 19 | 0 |
NPC283480 | C27H28O10 | Alvaradoin H | 512.17 | -0.5402 | 3.33 | 2.074 | 8 | 4 | 159.82 | 14 | 4 | 37 | 0 |
NPC3449 | C22H22O10 | Alvaradoin N | 446.12 | -2.9732 | 2.78 | -0.018 | 8 | 6 | 173.98 | 11 | 4 | 32 | 1 |
NPC82190 | C25H26O9 | Alvaradoin M | 470.16 | -0.9193 | 3.22 | 1.763 | 7 | 5 | 153.75 | 12 | 4 | 34 | 0 |