165580 -OEChem-10051719353D 87 90 0 1 0 0 0 0 0999 V2000 -0.6924 -1.5556 0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0794 -0.1245 0.7944 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -1.4510 2.4577 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 -0.3591 1.5591 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1369 -4.3895 -0.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4668 1.5773 -0.7758 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4736 0.6008 -0.5792 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3822 -2.9548 1.4649 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9601 3.6212 0.7897 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4269 4.3083 0.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3233 -1.4365 -1.2428 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0235 0.5747 4.4201 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8057 2.1710 -1.4264 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9273 1.6436 -3.0643 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2894 -0.6592 -1.0105 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 -4.9863 -2.0627 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1179 2.1778 2.0433 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6735 1.1062 1.3365 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 1.2402 -2.8267 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9834 -2.1722 0.1738 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9963 -1.1019 -0.2470 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3879 -1.6959 -0.5015 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9461 -3.3593 -0.7956 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3473 -3.9330 -1.0455 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3225 -2.8470 -1.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1339 -2.1420 1.2025 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8940 -0.5991 1.3756 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5927 -1.9704 0.8049 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1425 -0.6434 2.6960 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6673 1.1608 0.3298 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7609 2.1676 1.4862 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9854 -0.3801 0.3242 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3710 3.5726 1.0013 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4817 -0.1436 0.5936 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0758 3.9613 -0.3040 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0947 2.8350 -1.3525 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2614 -0.1035 -0.7311 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7222 0.7277 3.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5946 0.8047 -1.7748 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0855 0.5247 -1.8728 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7947 2.7124 -2.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3655 1.5199 -2.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2448 -2.5092 1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6212 -0.6534 -1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8042 -2.0599 0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4648 -3.0596 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7268 -4.3897 -0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3232 -3.2799 -1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0126 -2.4641 -2.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0913 -3.1922 1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 0.1771 0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7595 -2.0429 -0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7287 -1.1464 3.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6195 1.0720 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0897 1.8422 2.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8828 -1.3731 -0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5994 4.3130 1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3668 0.0920 -0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2262 -1.0445 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -0.9631 1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2043 -5.4058 -2.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6653 -5.7313 -1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6081 4.8566 -0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8923 3.0428 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2934 0.2176 -0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5873 -4.7177 0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5934 1.3681 3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0528 1.2120 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0455 0.6449 -2.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9281 -0.4886 -2.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1236 -3.8216 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3546 1.2453 2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1505 2.7951 2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5928 3.6340 -2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9336 2.4951 -1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4811 2.5400 -2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7839 1.4883 -3.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6594 1.2181 1.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1712 1.0562 2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5293 3.4266 1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8469 4.6283 -0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8434 -1.4107 -2.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7661 2.3203 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2412 1.4640 4.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 0.3050 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4876 1.8857 -3.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 1.5862 -3.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 26 1 0 0 0 0 2 21 1 0 0 0 0 2 30 1 0 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 4 27 1 0 0 0 0 4 32 1 0 0 0 0 5 23 1 0 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 8 28 1 0 0 0 0 8 71 1 0 0 0 0 9 33 1 0 0 0 0 9 80 1 0 0 0 0 10 35 1 0 0 0 0 10 81 1 0 0 0 0 11 37 1 0 0 0 0 11 82 1 0 0 0 0 12 38 1 0 0 0 0 12 84 1 0 0 0 0 13 39 1 0 0 0 0 13 83 1 0 0 0 0 14 41 1 0 0 0 0 14 87 1 0 0 0 0 15 22 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 24 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 17 31 1 0 0 0 0 17 72 1 0 0 0 0 17 73 1 0 0 0 0 18 34 1 0 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 0 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 0 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 0 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 > DB01421 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UOZODPSAJZTQNH-LSWIJEOBSA-N/SDF?record_type=3d > NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O > 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 > C23H45N5O14 > 615.6285 > 615.296301173 > 19 > 87 > 4.731082191577685 > 59.02908877426916 > 0 > 13 > 0 > 0 > (2R,3S,4R,5R,6S)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-4-{[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxane-3,4-diol > -2.92 > -8.308295949333333 > -0.89 > 1 > 5 > 4 > 5 > 12.902366318365836 > 12.226663013739758 > 9.681358573994746 > 347.31999999999994 > 134.2427999999999 > 9 > 0 > 7.97e+01 g/l > biotin > 0 $$$$