| Compound Information | SONAR Target prediction |
| Name: | Sapindoside A |
| Unique Identifier: | LAT001H04 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C41H66O12 |
| Molecular Weight: | 684.432 g/mol |
| X log p: | 0.138000000000001 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 53.99 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 12 |
| Rotatable Bond Count: | 6 |
| Canonical Smiles: | CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC34C)C (O)=O)C2(C)CO)C(O)C(O)C1O |
| Found: 5 active as graph: single | with analogs | 1 2 3 4 5 Next >> |
| Species: | 4932 |
| Condition: | pdr18h |
| Replicates: | 2 |
| Raw OD Value: r im | 0.0424±0.0000707107 |
| Normalized OD Score: sc h | 0.0682±0.000925519 |
| Z-Score: | -26.2110±2.00728 |
| p-Value: | 0 |
| Z-Factor: | -0.226402 |
| Fitness Defect: | INF |
| Bioactivity Statement: | Toxic |
| ps |
| DBLink | Rows returned: 78 | << Back 1 2 3 4 5 6 7 8 9 10 Next >> |
| 10485214 | (4aS,6aS,6bR,10S,12aS)-10-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyme thyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetra decahydropicene-4a-carboxylic acid |
| 10509459 | (4aS,6aS,6aS,6bR,8aS,10S,12aS,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy- 6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7, 8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| 10533260 | (4aS,6aS,6aS,6bR,8aS,10S,12aS,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy- 6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7, 8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| 10557759 | (4aS,6aS,6aS,6bR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl) -5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,4-dihydroxy-oxan-2- yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropi cene-4a-carboxylic acid |
| 10605872 | (4aS,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxyme thyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxymethyl]-3,4,5-tri hydroxy-oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropi cene-4a-carboxylic acid |
| 10605873 | (4aS,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-3,4-dihydroxy-6-(hydroxyme thyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxymethyl]-3,4,5-tri hydroxy-oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropi cene-4a-carboxylic acid |
| internal high similarity DBLink | Rows returned: 1 |
| SPE01504017 | 1.0000 |
| active | Cluster 15543 | Additional Members: 5 | Rows returned: 2 |
| SPE01504059 | 0.438461538461538 |
| SPE01504017 | 0 |
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