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Predict NMR spectrum
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| RN: |
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| MF: |
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| MW: |
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| bp (°C): |
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| mp (°C): |
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| InChI: |
1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4) |
| InChIKey: |
AQTQHPDCURKLKT-UHFFFAOYSA-N |
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| H donor: |
5 |
| H acceptor: |
18 |
| Rotatable bond: |
10 |
| Stereocenter: |
9 |
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| cLogP: |
-0.81 |
| cLogS: |
-3.475 |
| Polar surface: |
254.15 |
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