Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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(1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside | CC(C)(O)C12CC1C(C)(CC2O)OC1OC(CO)C(O)C(O)C1O | 3050.2 | Standard polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside | CC(C)(O)C12CC1C(C)(CC2O)OC1OC(CO)C(O)C(O)C1O | 2715.5 | Standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside | CC(C)(O)C12CC1C(C)(CC2O)OC1OC(CO)C(O)C(O)C1O | 2873.2 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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(1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,1TMS,isomer #1 | CC1(OC2OC(CO)C(O)C(O)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2833.6 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,1TMS,isomer #2 | CC1(OC2OC(CO)C(O)C(O)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2767.1 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,1TMS,isomer #3 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC(O)C2(C(C)(C)O)CC12 | 2777.9 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,1TMS,isomer #4 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(O)C2(C(C)(C)O)CC12 | 2768.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,1TMS,isomer #5 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(O)C2(C(C)(C)O)CC12 | 2749.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,1TMS,isomer #6 | CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 2750.6 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #1 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2777.6 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #10 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC(O)C2(C(C)(C)O)CC12 | 2695.1 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #11 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC(O)C2(C(C)(C)O)CC12 | 2672.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #12 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 2683.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #13 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(O)C2(C(C)(C)O)CC12 | 2680.2 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #14 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 2672.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #15 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 2692.9 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #2 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2764.2 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #3 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2739.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #4 | CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2753.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #5 | CC1(OC2OC(CO)C(O)C(O)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2777.6 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #6 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2688.9 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #7 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2677.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #8 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2650.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TMS,isomer #9 | CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2668.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #1 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2686.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #10 | CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2700.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #11 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2608.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #12 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2583.5 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #13 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2596.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #14 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2595.9 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #15 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2606.0 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #16 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2601.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #17 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(O)C2(C(C)(C)O)CC12 | 2616.2 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #18 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 2596.9 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #19 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 2606.1 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #2 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2668.2 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #20 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 2637.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #3 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2681.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #4 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2691.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #5 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2683.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #6 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2685.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #7 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2709.1 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #8 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2687.1 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TMS,isomer #9 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2690.1 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #1 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2627.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #10 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2594.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #11 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2521.9 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #12 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2505.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #13 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2509.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #14 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2529.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #15 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 2556.2 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #2 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2593.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #3 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2620.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #4 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2610.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #5 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2604.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #6 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2601.0 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #7 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2623.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #8 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2608.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TMS,isomer #9 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2603.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,5TMS,isomer #1 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2579.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,5TMS,isomer #2 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2542.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,5TMS,isomer #3 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2520.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,5TMS,isomer #4 | CC1(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2528.5 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,5TMS,isomer #5 | CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2525.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,5TMS,isomer #6 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O)CC12 | 2473.0 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,6TMS,isomer #1 | CC1(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC(O[Si](C)(C)C)C2(C(C)(C)O[Si](C)(C)C)CC12 | 2527.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,1TBDMS,isomer #1 | CC1(OC2OC(CO)C(O)C(O)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3083.2 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,1TBDMS,isomer #2 | CC1(OC2OC(CO)C(O)C(O)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3008.9 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,1TBDMS,isomer #3 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC(O)C2(C(C)(C)O)CC12 | 3011.5 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,1TBDMS,isomer #4 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(O)C2(C(C)(C)O)CC12 | 3024.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,1TBDMS,isomer #5 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O)C2(C(C)(C)O)CC12 | 3006.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,1TBDMS,isomer #6 | CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 3009.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #1 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3223.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #10 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(O)C2(C(C)(C)O)CC12 | 3156.6 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #11 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O)C2(C(C)(C)O)CC12 | 3154.1 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #12 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 3142.5 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #13 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O)C2(C(C)(C)O)CC12 | 3165.0 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #14 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 3160.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #15 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 3172.9 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #2 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3225.0 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #3 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3213.9 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #4 | CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3211.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #5 | CC1(OC2OC(CO)C(O)C(O)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3233.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #6 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3134.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #7 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3145.9 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #8 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3126.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,2TBDMS,isomer #9 | CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3126.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #1 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3362.1 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #10 | CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3365.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #11 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3272.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #12 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3267.1 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #13 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3253.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #14 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3288.9 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #15 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3283.0 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #16 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3286.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #17 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O)C2(C(C)(C)O)CC12 | 3312.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #18 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 3286.2 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #19 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 3292.9 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #2 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3364.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #20 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 3315.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #3 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3343.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #4 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3365.2 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #5 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3366.0 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #6 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3358.5 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #7 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3391.6 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #8 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3361.9 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,3TBDMS,isomer #9 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3379.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #1 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3536.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #10 | CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3535.1 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #11 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3441.6 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #12 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3428.5 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #13 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3435.5 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #14 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O)CC12 | 3458.4 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #15 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O)CC12 | 3462.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #2 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3509.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #3 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3516.6 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #4 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3521.3 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #5 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3528.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #6 | CC1(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3500.8 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #7 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC(O)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3527.2 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #8 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3538.7 | Semi standard non polar | 33892256 | (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside,4TBDMS,isomer #9 | CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C2(C(C)(C)O[Si](C)(C)C(C)(C)C)CC12 | 3529.2 | Semi standard non polar | 33892256 |
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