| Compound Information | SONAR Target prediction | | Name: | SARMENTOSIDE B | | Unique Identifier: | SPE00100568 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 616.356 g/mol | | X log p: | 1.865 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 123.66 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 13 | | Rotatable Bond Count: | 9 | | Canonical Smiles: | COC1C(O)C(OC(C)C1OC(C)=O)OC1CCC2(C=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C1
COC(=O)C=1)OC(C)=O | | Class: | sterol glycoside | | Source: | Strophanthus sarmentosis; mp 193-195 | | Reference: | Helv Chim Acta 31: 1719 (1948); 40: 980 (1957); 41: 736 (1958) |
| Species: |
4932 |
| Condition: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8160±0.01393 |
| Normalized OD Score: sc h |
1.1674±0.0182897 |
| Z-Score: |
9.0861±0.856614 |
| p-Value: |
1.12209e-17 |
| Z-Factor: |
-2.08368 |
| Fitness Defect: |
39.0288 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|D2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.40 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.0412±0.00025 | | Plate DMSO Control (-): | 0.69275±0.12390 | | Plate Z-Factor: | 0.4147 |
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ps
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| DBLink | Rows returned: 2 | |
| 3444781 |
[6-[[11-acetyloxy-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,
17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-hydroxy-4-methoxy-2-methyl-oxan-3-yl] acetate |
| 6708535 |
[6-[[(3S,5S,10S,11R,13R,14S,17S)-11-acetyloxy-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl
)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-hydroxy-4-methoxy-2-m
ethyl-oxan-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 12609 | Additional Members: 16 | Rows returned: 3 | |
|
