Mrv1533004231519342D 43 46 0 0 0 0 999 V2000 2.1015 -1.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5494 -2.6088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7425 -2.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1904 -3.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4454 -3.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 -2.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1686 -3.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8715 -2.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6784 -1.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2305 -2.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3194 -1.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -1.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 -0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0023 -1.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8422 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5097 -0.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9285 0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6821 0.8573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7684 1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5221 2.0133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1009 2.1627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 1.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3473 1.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5074 0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8399 1.1560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9261 1.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 2.3121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2587 2.4614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 1.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5391 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2065 1.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5391 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 -1.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 3 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 17 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 15 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 14 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 37 42 1 0 0 0 0 42 43 1 0 0 0 0 M END > NP0329879 > NP-MRD > CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C11OC(=O)NC1O > InChI=1S/C22H40N8O13/c1-4-22(18(37)30-21(38)43-22)15(42-16-8(27-2)12(35)9(32)5(3-31)40-16)17(39-4)41-14-7(29-20(25)26)10(33)6(28-19(23)24)11(34)13(14)36/h4-18,27,31-37H,3H2,1-2H3,(H,30,38)(H4,23,24,28)(H4,25,26,29) > DGVZNVLARKDWED-UHFFFAOYSA-N > C22H40N8O13 > 624.605 > 624.27148338 > 19 > 83 > 58.574018832894936 > 0 > 15 > 0 > 0 > N-{3-carbamimidamido-4-[(9-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-6-methyl-2-oxo-1,7-dioxa-3-azaspiro[4.4]nonan-8-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine > -2.47 > -7.096360910654796 > -1.64 > 1 > 4 > 3 > 12.053068156573275 > 10.602828253989765 > 11.552733576267123 > 352.69 > 155.94710000000003 > 8 > 0 > 1.44e+01 g/l > N-{3-carbamimidamido-4-[(9-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-6-methyl-2-oxo-1,7-dioxa-3-azaspiro[4.4]nonan-8-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine > 0 > NP0329879 > n-{3-carbamimidamido-4-[(9-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-2,4-dihydroxy-6-methyl-1,7-dioxa-3-azaspiro[4.4]non-2-en-8-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine $$$$