165580 -OEChem-05102412182D 87 90 0 1 0 0 0 0 0999 V2000 8.8671 -0.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4548 0.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2149 -1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8671 1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2330 -0.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -2.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6600 -1.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1104 1.7368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8691 0.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 1.3865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 3.1186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8330 -2.6089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1646 1.7760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3671 0.5205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3671 0.5205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 1.3865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8671 1.3865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3671 2.2526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3671 2.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8671 -0.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4059 -0.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4548 -1.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4059 0.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1285 -1.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9375 -1.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8510 -1.2076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2149 0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9556 -0.2131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1465 0.3747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2511 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9871 0.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7471 0.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 1.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1771 1.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0571 2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4747 2.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7844 2.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5856 -0.8979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 -1.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8933 -1.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 0.7668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6269 -0.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 1.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 0.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3711 -1.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5571 3.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4871 3.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7862 -1.8242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1771 1.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4867 0.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8109 0.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0204 0.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6449 0.7391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5607 -2.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.1294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.1294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1011 1.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6326 1.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3345 -2.9733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2666 -2.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2264 -1.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3707 -0.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6120 2.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2294 2.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6662 1.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 1 0 0 0 26 1 1 6 0 0 0 21 2 1 6 0 0 0 30 2 1 6 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 27 4 1 1 0 0 0 32 4 1 1 0 0 0 23 5 1 6 0 0 0 5 66 1 0 0 0 0 6 30 1 0 0 0 0 6 36 1 0 0 0 0 7 32 1 0 0 0 0 7 40 1 0 0 0 0 28 8 1 1 0 0 0 8 71 1 0 0 0 0 33 9 1 1 0 0 0 9 80 1 0 0 0 0 35 10 1 6 0 0 0 10 81 1 0 0 0 0 37 11 1 6 0 0 0 11 82 1 0 0 0 0 12 38 1 0 0 0 0 12 84 1 0 0 0 0 39 13 1 1 0 0 0 13 83 1 0 0 0 0 14 41 1 0 0 0 0 14 87 1 0 0 0 0 22 15 1 1 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 24 16 1 1 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 31 17 1 6 0 0 0 17 72 1 0 0 0 0 17 73 1 0 0 0 0 34 18 1 1 0 0 0 18 78 1 0 0 0 0 18 79 1 0 0 0 0 19 42 1 0 0 0 0 19 85 1 0 0 0 0 19 86 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 38 1 6 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 32 34 1 0 0 0 0 32 56 1 0 0 0 0 33 35 1 0 0 0 0 33 57 1 0 0 0 0 34 37 1 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 36 41 1 1 0 0 0 36 64 1 0 0 0 0 37 39 1 0 0 0 0 37 65 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 40 42 1 1 0 0 0 40 70 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 M END > 165580 > 1 > 870 > 19 > 13 > 9 > AAADcfB7vAAAAAAAAAAAAAAAAAAAASAAAAA0SIAAAAAAAAAAAAAAHgAQCAAACDzxgAcACABABgAAAAAAAAAAAAAAAAAAAIAAAAATEAIAwAAjQAAHEAAHAAHwcA0AAAAAAAAAAAAAgAAUCACgAAAAAAAAAA== > (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-tetrahydropyran-3,4-diol > (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]oxane-3,4-diol > (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol > (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol > (2S,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2S,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol > (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]oxy-tetrahydropyran-3,4-diol > InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 > UOZODPSAJZTQNH-LSWIJEOBSA-N > -8.7 > 615.29630113 > C23H45N5O14 > 615.6 > C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N > C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N > 347 > 615.29630113 > 0 > 42 > 19 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 1 5 26 1 6 35 10 6 37 11 6 39 13 5 22 15 5 24 16 5 31 17 6 34 18 5 21 2 6 30 2 6 29 38 6 36 41 5 27 4 5 32 4 5 40 42 5 23 5 6 28 8 5 33 9 5 $$$$