| Compound Information | SONAR Target prediction |
| Name: | Troleandomycin |
| Unique Identifier: | Prest594 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C41H67NO15 |
| Molecular Weight: | 746.436 g/mol |
| X log p: | -0.425 (online calculus) |
| Lipinksi Failures | 2 |
| TPSA | 184.19 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 16 |
| Rotatable Bond Count: | 12 |
| Canonical Smiles: | COC1CC(OC(C)C1OC(C)=O)OC1C(C)C(OC2OC(C)CC(C2OC(C)=O)N(C)C)C(C)CC2(CO2) C(=O)C(C)C(OC(C)=O)C(C)C(C)OC(=O)C1C |
| Found: 3 nonactive as graph: single | with analogs | << Back 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre002 |
| Replicates: | 2 |
| Raw OD Value: r im | 9595.0000±0 |
| Normalized OD Score: sc h | 0.9592±0 |
| Z-Score: | -0.9187±0 |
| p-Value: | 0.35825 |
| Z-Factor: | -14.1298 |
| Fitness Defect: | 1.0265 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 9 | << Back 1 2 |
| 6604456 | [(2R,3S,4R,6S)-6-[[(3S,5R,6S,7S,8S,9R,12S,13R,14R,15R)-14-acetyloxy-6-[(2S,3S,4R,6S)-3-acetyloxy-4-dimet hylamino-6-methyl-oxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadec-8-yl] oxy]-4-methoxy-2-methyl-oxan-3-yl] acetate |
| 6708521 | [(2S,3S,4S,6S)-6-[[(3S,5S,6S,7R,8S,9R,12R,13S,14S,15R)-14-acetyloxy-6-[(3R,4S,6R)-3-acetyloxy-4-dimethyl amino-6-methyl-oxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadec-8-yl]oxy ]-4-methoxy-2-methyl-oxan-3-yl] acetate |
| 6713914 | [6-[[(5R,6R,7R,8R,9R,12S,13R,15S)-14-acetyloxy-6-(3-acetyloxy-4-dimethylamino-6-methyl-oxan-2-yl)oxy-5,7 ,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadec-8-yl]oxy]-4-methoxy-2-methyl-oxan-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 2234 | Additional Members: 5 | Rows returned: 0 |
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