21596502 -OEChem-05052415322D 128134 0 1 0 0 0 0 0999 V2000 10.6045 1.8161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1487 -1.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5536 -1.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5522 -3.5446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6045 -0.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 -3.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6045 3.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -1.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7204 -3.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4234 -1.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6045 1.8161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2756 -0.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1045 5.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0652 0.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9212 0.4761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2561 -5.1057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8725 2.8161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8983 -2.8915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6045 3.5482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4351 1.1293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5640 -1.9941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -2.5589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0064 0.3161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1682 -4.9649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8725 -0.1839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2181 -4.4164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7385 1.3161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1426 -2.8813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7385 0.3161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2435 -3.3858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8725 1.8161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0354 -3.3968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0064 1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 -4.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1045 2.6822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2858 -1.3760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1045 2.6822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2919 -0.3760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6045 3.5482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4290 0.1293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8516 -2.0995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2730 -2.4837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1045 4.4142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5599 -0.3654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3145 -4.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7487 -2.5732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3844 -1.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1045 4.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5537 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9802 -0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1803 -4.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9004 -3.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2504 -0.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1835 -4.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9798 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9705 4.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1045 2.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 1.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -0.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -5.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4474 -0.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 -5.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7385 1.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6085 -2.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7385 -0.3039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1452 -2.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3355 2.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5751 -3.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7944 1.8987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3959 1.2085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 -5.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6568 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8895 1.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2987 -5.7242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4145 2.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8246 -1.0693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7245 2.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5075 0.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9145 4.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8939 0.4426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0041 -2.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 -2.7457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3355 3.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1825 3.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4371 -3.1982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8945 -2.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9465 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1253 -0.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2367 -5.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0372 -4.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7078 -1.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8181 -1.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1415 0.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8548 -3.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2122 5.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5219 4.6262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9438 -1.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3381 -1.9467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2371 -4.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4802 -3.3566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9229 -0.4623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6668 -1.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3777 -4.8828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7961 0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2805 4.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5075 5.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6605 5.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5637 0.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 -0.3554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5561 -0.9792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9145 4.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9739 1.4360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2245 1.8161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4841 -1.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5676 5.7242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4452 0.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1276 -2.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5058 -1.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6063 -3.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5676 2.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4145 2.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6415 2.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8855 2.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0372 1.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2589 1.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27 1 1 1 0 0 0 35 1 1 1 0 0 0 28 2 1 1 0 0 0 36 2 1 1 0 0 0 3 25 1 0 0 0 0 3 41 1 0 0 0 0 4 26 1 0 0 0 0 4 42 1 0 0 0 0 29 5 1 6 0 0 0 5 95 1 0 0 0 0 30 6 1 6 0 0 0 6 96 1 0 0 0 0 7 35 1 0 0 0 0 7 49 1 0 0 0 0 8 36 1 0 0 0 0 8 50 1 0 0 0 0 9 41 1 0 0 0 0 9 52 1 0 0 0 0 10 42 1 0 0 0 0 10 51 1 0 0 0 0 37 11 1 1 0 0 0 11115 1 0 0 0 0 38 12 1 1 0 0 0 12116 1 0 0 0 0 43 13 1 6 0 0 0 13117 1 0 0 0 0 44 14 1 6 0 0 0 14118 1 0 0 0 0 15 23 1 0 0 0 0 15 45 1 0 0 0 0 15 75 1 0 0 0 0 16 24 1 0 0 0 0 16 46 1 0 0 0 0 16 76 1 0 0 0 0 31 17 1 6 0 0 0 17 85 1 0 0 0 0 17 86 1 0 0 0 0 32 18 1 6 0 0 0 18 87 1 0 0 0 0 18 88 1 0 0 0 0 39 19 1 6 0 0 0 19 59 1 0 0 0 0 19113 1 0 0 0 0 40 20 1 6 0 0 0 20 60 1 0 0 0 0 20114 1 0 0 0 0 47 21 1 1 0 0 0 21119 1 0 0 0 0 21120 1 0 0 0 0 48 22 1 6 0 0 0 22121 1 0 0 0 0 22122 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 23 61 1 1 0 0 0 24 26 1 0 0 0 0 24 34 1 0 0 0 0 24 62 1 1 0 0 0 25 29 1 0 0 0 0 25 63 1 6 0 0 0 26 30 1 0 0 0 0 26 64 1 6 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 27 65 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 31 33 1 0 0 0 0 31 69 1 0 0 0 0 32 34 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 37 1 0 0 0 0 35 77 1 0 0 0 0 36 38 1 0 0 0 0 36 78 1 0 0 0 0 37 39 1 0 0 0 0 37 79 1 0 0 0 0 38 40 1 0 0 0 0 38 80 1 0 0 0 0 39 43 1 0 0 0 0 39 81 1 0 0 0 0 40 44 1 0 0 0 0 40 82 1 0 0 0 0 41 47 1 0 0 0 0 41 83 1 6 0 0 0 42 48 1 0 0 0 0 42 84 1 1 0 0 0 43 49 1 0 0 0 0 43 57 1 0 0 0 0 44 50 1 0 0 0 0 44 58 1 0 0 0 0 45 51 1 0 0 0 0 45 89 1 0 0 0 0 45 90 1 0 0 0 0 46 52 1 0 0 0 0 46 91 1 0 0 0 0 46 92 1 0 0 0 0 47 53 1 0 0 0 0 47 93 1 0 0 0 0 48 54 1 0 0 0 0 48 94 1 0 0 0 0 49 97 1 0 0 0 0 49 98 1 0 0 0 0 50 99 1 0 0 0 0 50100 1 0 0 0 0 51 56 2 0 0 0 0 52 55 2 0 0 0 0 53 55 1 0 0 0 0 53101 1 0 0 0 0 53102 1 0 0 0 0 54 56 1 0 0 0 0 54103 1 0 0 0 0 54104 1 0 0 0 0 55105 1 0 0 0 0 56106 1 0 0 0 0 57107 1 0 0 0 0 57108 1 0 0 0 0 57109 1 0 0 0 0 58110 1 0 0 0 0 58111 1 0 0 0 0 58112 1 0 0 0 0 59123 1 0 0 0 0 59124 1 0 0 0 0 59125 1 0 0 0 0 60126 1 0 0 0 0 60127 1 0 0 0 0 60128 1 0 0 0 0 M END > 21596502 > 1 > 1420 > 22 > 14 > 6 > AAADcfB//AAAAAAAAAAAAAAAAAAAAAAAAAA0aIECAAAAAAAAAAAAHgAQCAAADHzxgAcCCALABgCAACBCAACACAAgIAAACIAIAAgTEAIAwQAnQAAHkACfAAPwcA8MAAAAAAAAAAAAgAAUCACgAAAAAAAAAA== > (1R,3S,4S,5R,6S,8R,14R,15S,17R,18R,19S,20R,22S,28S)-6,14,20,28-tetraamino-5,19-bis[[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy]-2,16,29,30-tetraoxa-9,23-diazapentacyclo[23.3.1.111,15.03,8.017,22]triaconta-11,25-diene-4,18-diol > (1R,3S,4S,5R,6S,8R,14R,15S,17R,18R,19S,20R,22S,28S)-6,14,20,28-tetraamino-5,19-bis[[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)-2-oxanyl]oxy]-2,16,29,30-tetraoxa-9,23-diazapentacyclo[23.3.1.111,15.03,8.017,22]triaconta-11,25-diene-4,18-diol > (1R,3S,4S,5R,6S,8R,14R,15S,17R,18R,19S,20R,22S,28S)-6,14,20,28-tetraamino-5,19-bis[[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy]-2,16,29,30-tetraoxa-9,23-diazapentacyclo[23.3.1.111,15.03,8.017,22]triaconta-11,25-diene-4,18-diol > (1R,3S,4S,5R,6S,8R,14R,15S,17R,18R,19S,20R,22S,28S)-6,14,20,28-tetraamino-5,19-bis[[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy]-2,16,29,30-tetraoxa-9,23-diazapentacyclo[23.3.1.111,15.03,8.017,22]triaconta-11,25-diene-4,18-diol > (1R,3S,4S,5R,6S,8R,14R,15S,17R,18R,19S,20R,22S,28S)-6,14,20,28-tetrakis(azanyl)-5,19-bis[[(2R,3R,4R,5R)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy]-2,16,29,30-tetraoxa-9,23-diazapentacyclo[23.3.1.111,15.03,8.017,22]triaconta-11,25-diene-4,18-diol > (1R,3S,4S,5R,6S,8R,14R,15S,17R,18R,19S,20R,22S,28S)-6,14,20,28-tetraamino-5,19-bis[[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy]-2,16,29,30-tetraoxa-9,23-diazapentacyclo[23.3.1.111,15.03,8.017,22]triaconta-11,25-diene-4,18-diol > InChI=1S/C38H68N8O14/c1-37(51)13-53-35(25(49)31(37)43-3)57-27-19(41)9-21-29(23(27)47)59-33-17(39)7-5-16(55-33)12-46-22-10-20(42)28(58-36-26(50)32(44-4)38(2,52)14-54-36)24(48)30(22)60-34-18(40)8-6-15(56-34)11-45-21/h5-6,17-36,43-52H,7-14,39-42H2,1-4H3/t17-,18+,19-,20+,21+,22-,23-,24+,25-,26-,27+,28-,29-,30+,31-,32-,33-,34+,35-,36-,37+,38+/m1/s1 > OKOKZZJAIDZBIZ-LCUGQODWSA-N > -7.7 > 860.48549887 > C38H68N8O14 > 861.0 > CC1(COC(C(C1NC)O)OC2C(CC3C(C2O)OC4C(CC=C(O4)CNC5CC(C(C(C5OC6C(CC=C(O6)CN3)N)O)OC7C(C(C(CO7)(C)O)NC)O)N)N)N)O > C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@H]3[C@H]([C@@H]2O)O[C@@H]4[C@@H](CC=C(O4)CN[C@@H]5C[C@@H]([C@H]([C@@H]([C@H]5O[C@H]6[C@H](CC=C(O6)CN3)N)O)O[C@@H]7[C@@H]([C@H]([C@@](CO7)(C)O)NC)O)N)N)N)O > 347 > 860.48549887 > 0 > 60 > 22 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 27 1 5 35 1 5 37 11 5 38 12 5 43 13 6 44 14 6 31 17 6 32 18 6 39 19 6 28 2 5 36 2 5 40 20 6 47 21 5 48 22 6 23 61 5 24 62 5 25 63 6 26 64 6 41 83 6 42 84 5 29 5 6 30 6 6 $$$$