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Predict NMR spectrum
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| InChI: |
1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4) |
| InChIKey: |
QTENRWWVYAAPBI-UHFFFAOYSA-N |
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| H donor: |
34 |
| H acceptor: |
50 |
| Rotatable bond: |
18 |
| Stereocenter: |
30 |
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| cLogP: |
-28.528 |
| cLogS: |
8.621 |
| Polar surface: |
911.8 |
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