Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
---|
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside | CC(O)C1C(O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O | 3010.0 | Standard polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside | CC(O)C1C(O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O | 3853.1 | Standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside | CC(O)C1C(O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O | 4258.8 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,1TMS,isomer #1 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4205.6 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,1TMS,isomer #2 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4217.2 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,1TMS,isomer #3 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4261.2 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,1TMS,isomer #4 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4258.1 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,1TMS,isomer #5 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 4253.4 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,1TMS,isomer #6 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4245.4 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #1 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4136.3 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #10 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4240.7 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #11 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 4226.4 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #12 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4238.6 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #13 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 4228.5 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #14 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4215.2 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #15 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4237.6 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #2 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4161.7 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #3 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4151.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #4 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 4120.1 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #5 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4130.9 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #6 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4168.4 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #7 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4161.1 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #8 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 4147.7 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TMS,isomer #9 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4141.1 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #1 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4061.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #10 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4063.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #11 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4086.5 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #12 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 4056.8 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #13 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4078.4 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #14 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 4073.2 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #15 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4070.7 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #16 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4080.2 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #17 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 4166.3 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #18 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4153.7 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #19 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4169.8 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #2 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4053.4 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #20 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4196.3 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #3 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 4020.4 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #4 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4035.1 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #5 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4078.7 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #6 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 4052.2 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #7 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4074.1 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #8 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 4056.6 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TMS,isomer #9 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4059.8 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #1 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 3983.9 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #10 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3998.9 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #11 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 3984.5 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #12 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3964.7 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #13 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3976.5 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #14 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3999.5 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #15 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 4104.5 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #2 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 3964.4 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #3 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3971.8 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #4 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 3953.5 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #5 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3955.5 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #6 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3954.6 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #7 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 4011.3 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #8 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3989.3 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,4TMS,isomer #9 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3999.7 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,5TMS,isomer #1 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)CCC4(C)C3CCC21C | 3910.1 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,5TMS,isomer #2 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3878.3 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,5TMS,isomer #3 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3888.6 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,5TMS,isomer #4 | CC(O[Si](C)(C)C)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3887.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,5TMS,isomer #5 | CC(O[Si](C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3961.3 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,5TMS,isomer #6 | CC(O)C1C(O[Si](C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)CCC4(C)C3CCC21C | 3941.7 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,1TBDMS,isomer #1 | CC(O[Si](C)(C)C(C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4428.2 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,1TBDMS,isomer #2 | CC(O)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4438.6 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,1TBDMS,isomer #3 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4483.1 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,1TBDMS,isomer #4 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4489.2 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,1TBDMS,isomer #5 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)CCC4(C)C3CCC21C | 4484.9 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,1TBDMS,isomer #6 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4476.5 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #1 | CC(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4573.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #10 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4690.2 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #11 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)CCC4(C)C3CCC21C | 4675.2 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #12 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4685.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #13 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C5O)CCC4(C)C3CCC21C | 4682.9 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #14 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4682.3 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #15 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4690.8 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #2 | CC(O[Si](C)(C)C(C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4603.4 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #3 | CC(O[Si](C)(C)C(C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4611.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #4 | CC(O[Si](C)(C)C(C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)CCC4(C)C3CCC21C | 4586.3 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #5 | CC(O[Si](C)(C)C(C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4590.1 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #6 | CC(O)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4597.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #7 | CC(O)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4612.5 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #8 | CC(O)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)CCC4(C)C3CCC21C | 4589.3 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,2TBDMS,isomer #9 | CC(O)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4592.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #1 | CC(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C5O)CCC4(C)C3CCC21C | 4691.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #10 | CC(O[Si](C)(C)C(C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4734.8 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #11 | CC(O)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4727.7 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #12 | CC(O)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)CCC4(C)C3CCC21C | 4707.8 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #13 | CC(O)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4716.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #14 | CC(O)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C5O)CCC4(C)C3CCC21C | 4720.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #15 | CC(O)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4715.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #16 | CC(O)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4721.3 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #17 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(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)C5O)CCC4(C)C3CCC21C | 4846.9 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #18 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4839.1 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #19 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4842.7 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #2 | CC(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4699.3 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #20 | CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4842.1 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #3 | CC(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)CCC4(C)C3CCC21C | 4674.6 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #4 | CC(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4687.5 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #5 | CC(O[Si](C)(C)C(C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)CCC4(C)C3CCC21C | 4753.6 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #6 | CC(O[Si](C)(C)C(C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)CCC4(C)C3CCC21C | 4724.1 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #7 | CC(O[Si](C)(C)C(C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4748.8 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #8 | CC(O[Si](C)(C)C(C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C5O)CCC4(C)C3CCC21C | 4729.0 | Semi standard non polar | 33892256 | (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside,3TBDMS,isomer #9 | CC(O[Si](C)(C)C(C)(C)C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O[Si](C)(C)C(C)(C)C)CCC4(C)C3CCC21C | 4729.2 | Semi standard non polar | 33892256 |
|
---|