492171 -OEChem-05032419382D 154157 0 1 0 0 0 0 0999 V2000 7.1310 5.7078 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1501 14.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5221 16.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2428 14.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 14.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3631 17.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6501 19.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8987 16.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1501 12.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7178 17.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6480 20.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1308 19.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0979 19.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 2.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4759 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2590 8.3814 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8577 7.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2574 17.3670 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4180 11.4183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7490 5.7078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8522 7.4679 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6501 15.2844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9070 15.9535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6012 14.9753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5002 16.8670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5957 15.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4617 15.5799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5002 17.8670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2841 13.9183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0979 15.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2305 14.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 16.9681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2841 12.9183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8768 16.6080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0495 16.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 12.4183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8279 16.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 17.5862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0495 18.3452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5957 19.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5520 12.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4617 19.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4120 18.2553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5520 13.9183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6012 19.7587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1308 14.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9070 18.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5221 18.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5678 15.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9630 18.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3943 20.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4966 20.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 17.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2041 19.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 14.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 10.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2841 10.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5831 21.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5896 15.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0740 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0740 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0740 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4759 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4400 6.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4400 6.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0377 15.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3081 16.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2188 16.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4248 14.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4041 15.6695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3647 14.9675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2188 18.4195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8210 13.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7335 15.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5964 15.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4624 14.8641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7486 13.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6207 13.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7123 14.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6999 16.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2841 12.2983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3780 15.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4831 16.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8811 12.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5368 15.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3164 15.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 18.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6019 18.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9414 13.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 12.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0809 19.1218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 18.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 14.5383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6304 13.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0812 20.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6701 14.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5457 14.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5916 15.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6510 18.6814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9156 18.2039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3932 17.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 15.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3762 15.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1574 15.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2152 18.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5294 19.0041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7109 19.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 19.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8895 20.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0212 20.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1151 20.7100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6466 21.3548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 16.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8774 17.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 17.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8106 19.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0752 19.8399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5977 19.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 14.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1491 14.7283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 13.8814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 12.7283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 18.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1280 20.9905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7373 19.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 11.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 10.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 10.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9741 10.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8210 10.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5941 11.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8353 21.7264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 21.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3309 20.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 15.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 14.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1793 15.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4770 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4770 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0740 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4770 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8044 7.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9199 3.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2999 2.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 69 1 0 0 0 0 1 71 1 0 0 0 0 24 2 1 6 0 0 0 31 2 1 1 0 0 0 27 3 1 6 0 0 0 34 3 1 1 0 0 0 26 4 1 1 0 0 0 4102 1 0 0 0 0 5 31 1 0 0 0 0 5 46 1 0 0 0 0 6 34 1 0 0 0 0 6 45 1 0 0 0 0 7 47 1 0 0 0 0 7 49 1 0 0 0 0 36 8 1 1 0 0 0 8 61 1 0 0 0 0 35 9 1 6 0 0 0 9130 1 0 0 0 0 40 10 1 1 0 0 0 10131 1 0 0 0 0 42 11 1 1 0 0 0 11132 1 0 0 0 0 44 12 1 6 0 0 0 12133 1 0 0 0 0 13 49 2 0 0 0 0 14 63 1 0 0 0 0 14 70 1 0 0 0 0 15 66 2 0 0 0 0 16 70 2 0 0 0 0 17 23 1 0 0 0 0 18 23 2 0 0 0 0 19 37 1 0 0 0 0 19 41 1 0 0 0 0 19 55 1 0 0 0 0 38 20 1 1 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 66 1 0 0 0 0 21 69 1 0 0 0 0 21150 1 0 0 0 0 22 69 2 0 0 0 0 22 72 1 0 0 0 0 23 71 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 74 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 1 0 0 0 25 75 1 0 0 0 0 26 28 1 0 0 0 0 26 33 1 0 0 0 0 27 30 1 0 0 0 0 27 76 1 0 0 0 0 28 29 1 0 0 0 0 28 77 1 0 0 0 0 28 78 1 0 0 0 0 29 37 1 0 0 0 0 29 48 1 6 0 0 0 29 79 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 1 0 0 0 30 80 1 0 0 0 0 31 35 1 0 0 0 0 31 81 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 33 85 1 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 34 39 1 0 0 0 0 34 88 1 0 0 0 0 35 38 1 0 0 0 0 35 89 1 0 0 0 0 36 39 1 0 0 0 0 36 40 1 0 0 0 0 36 51 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 43 1 0 0 0 0 38 92 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 40 45 1 0 0 0 0 40 95 1 0 0 0 0 41 44 1 0 0 0 0 41 52 1 1 0 0 0 41 96 1 0 0 0 0 42 44 1 0 0 0 0 42 47 1 0 0 0 0 42 53 1 0 0 0 0 43 46 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 44 99 1 0 0 0 0 45 56 1 6 0 0 0 45100 1 0 0 0 0 46 57 1 1 0 0 0 46101 1 0 0 0 0 47 54 1 6 0 0 0 47103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 50107 1 0 0 0 0 50108 1 0 0 0 0 50109 1 0 0 0 0 51110 1 0 0 0 0 51111 1 0 0 0 0 51112 1 0 0 0 0 52113 1 0 0 0 0 52114 1 0 0 0 0 52115 1 0 0 0 0 53116 1 0 0 0 0 53117 1 0 0 0 0 53118 1 0 0 0 0 54 60 1 0 0 0 0 54119 1 0 0 0 0 54120 1 0 0 0 0 55121 1 0 0 0 0 55122 1 0 0 0 0 55123 1 0 0 0 0 56124 1 0 0 0 0 56125 1 0 0 0 0 56126 1 0 0 0 0 57127 1 0 0 0 0 57128 1 0 0 0 0 57129 1 0 0 0 0 58134 1 0 0 0 0 58135 1 0 0 0 0 58136 1 0 0 0 0 59137 1 0 0 0 0 59138 1 0 0 0 0 59139 1 0 0 0 0 60140 1 0 0 0 0 60141 1 0 0 0 0 60142 1 0 0 0 0 61143 1 0 0 0 0 61144 1 0 0 0 0 61145 1 0 0 0 0 62 63 1 0 0 0 0 62 64 2 0 0 0 0 62 66 1 0 0 0 0 63 65 2 0 0 0 0 64 67 1 0 0 0 0 64146 1 0 0 0 0 65 68 1 0 0 0 0 65147 1 0 0 0 0 67 68 2 0 0 0 0 67148 1 0 0 0 0 68149 1 0 0 0 0 70 73 1 0 0 0 0 71 72 2 0 0 0 0 72151 1 0 0 0 0 73152 1 0 0 0 0 73153 1 0 0 0 0 73154 1 0 0 0 0 M CHG 2 17 -1 23 1 M END > 492171 > 1 > 1580 > 21 > 6 > 11 > AAADcfB/vgBAAAAAAAAAAAAAAAAAAWAAAAA0SIAAAAAAAAABwAAAHgQUCAAADXzx2gc/n5PYVgitAjH3fwCC+Kl1OjlpyA0OPMqfdjaEvRu2e2jv4ZOfqaf4/P7OAAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;[2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] acetate > acetic acid [2-[[(5-nitro-2-thiazolyl)amino]-oxomethyl]phenyl] ester;(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one > (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate > (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate > (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-1-oxa-6-azacyclopentadecan-15-one;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] ethanoate > acetic acid [2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] ester;(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one > InChI=1S/C38H72N2O12.C12H9N3O5S/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28;1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h20-33,35,41-43,45-46H,15-19H2,1-14H3;2-6H,1H3,(H,13,14,17)/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-;/m1./s1 > JBBLXXJNCMNTCN-WVVFQGGUSA-N > 1055.53481731 > C50H81N5O17S > 1056.3 > CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O.CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-] > CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O.CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-] > 322 > 1055.53481731 > 0 > 73 > 18 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 1 69 8 1 71 8 40 10 5 42 11 5 44 12 6 24 2 6 31 2 5 38 20 5 22 69 8 22 72 8 25 32 5 29 48 6 27 3 6 34 3 5 30 50 5 26 4 5 41 52 5 45 56 6 46 57 5 47 54 6 62 63 8 62 64 8 63 65 8 64 67 8 65 68 8 67 68 8 71 72 8 36 8 5 35 9 6 $$$$