Ingredient ID: NPC70622
Formula: C15H10O5
Ingredient ID: NPC471683
Formula: C30H20O9
Ingredient ID: NPC471682
Formula: C30H20O8
Ingredient ID: NPC282923
Formula: C15H10O4
Ingredient ID: NPC239136
Formula: C30H18O8
Ingredient ID: NPC226656
Formula: C24H18O8
Ingredient ID: NPC19631
Formula: C30H18O8
Ingredient ID: NPC147250
Formula: C24H16O7
Ingredient ID: NPC119767
Formula: C22H14O7
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC119767 | C22H14O7 | (4,5-Dihydroxy-9,10-Dioxoanthracen-2-Yl)Methyl 4-Hydroxybenzoate | 390.07 | -1.988 | 3.11 | 2.174 | 4 | 3 | 121.13 | 7 | 4 | 29 | 0 |
NPC147250 | C24H16O7 | (4,5-Dihydroxy-9,10-Dioxoanthracen-2-Yl)Methyl (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate | 416.09 | -1.6269 | 3.33 | 2.99 | 4 | 3 | 121.13 | 8 | 4 | 31 | 0 |
NPC19631 | C30H18O8 | Microcarpin | 506.1 | -1.6124 | 3.88 | 2.422 | 4 | 4 | 149.2 | 7 | 6 | 38 | 0 |
NPC226656 | C24H18O8 | Knipholone | 434.1 | -2.0325 | 3.22 | 1.152 | 3 | 4 | 141.36 | 10 | 4 | 32 | 0 |
NPC239136 | C30H18O8 | Asphodeline | 506.1 | -1.6124 | 3.88 | 2.422 | 4 | 4 | 149.2 | 7 | 6 | 38 | 0 |
NPC282923 | C15H10O4 | Chrysophanol | 254.06 | -0.8062 | 2.67 | 1.627 | 2 | 2 | 74.6 | 3 | 3 | 19 | 0 |
NPC471682 | C30H20O8 | 10-(Chrysophanol-7'-Yl)-10-Hydroxychrysophanol-9-Anthrone | 508.12 | -2.0938 | 3.88 | 2.404 | 4 | 5 | 152.36 | 8 | 6 | 38 | 0 |
NPC471683 | C30H20O9 | Chryslandicin | 524.11 | -2.5541 | 3.77 | 1.23 | 4 | 6 | 172.59 | 9 | 6 | 39 | 1 |
NPC70622 | C15H10O5 | Aloe-Emodin | 270.05 | -1.8969 | 2.56 | 0.284 | 3 | 3 | 94.83 | 4 | 3 | 20 | 0 |