51546390 -OEChem-05122416012D 78 80 0 1 0 0 0 0 0999 V2000 5.2320 1.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 -1.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 0.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 1.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 3.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8301 3.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 -2.7985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.9335 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7321 -1.9326 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9641 4.9335 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9641 -1.0665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4642 -5.3966 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3660 0.4335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2320 0.9335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2320 -1.0665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3660 -0.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -0.5665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0981 0.4335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9641 3.9335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0981 2.4335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0981 3.4335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8301 3.4335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0000 0.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8301 2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4642 -1.9324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3301 4.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 -1.9325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 0.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 5.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9641 -2.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4642 -3.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4642 -3.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 -4.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 1.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6951 1.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6705 -1.5049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7554 -0.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -1.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -1.1865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 1.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 1.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.4705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5010 4.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 1.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 4.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 -1.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4221 -2.4695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -2.2425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 -0.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -0.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0422 1.8509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4407 2.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3441 4.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5841 4.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5010 0.6235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7742 -1.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 3.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6401 4.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7932 4.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0841 -1.9325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6951 3.6235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1401 2.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5841 5.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 6.5535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3441 5.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4391 -3.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4390 -2.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7742 -4.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5841 -1.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6541 -0.5295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4892 -4.1320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4892 -4.9291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7742 -5.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9272 -5.7066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0011 -5.0866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 6 0 0 0 20 1 1 1 0 0 0 17 2 1 6 0 0 0 25 2 1 6 0 0 0 18 3 1 1 0 0 0 3 55 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 21 5 1 6 0 0 0 5 64 1 0 0 0 0 22 6 1 1 0 0 0 6 65 1 0 0 0 0 7 25 1 0 0 0 0 7 31 1 0 0 0 0 13 8 1 1 0 0 0 8 23 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 15 9 1 1 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 19 10 1 1 0 0 0 10 29 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 27 11 1 6 0 0 0 11 72 1 0 0 0 0 11 73 1 0 0 0 0 12 33 1 0 0 0 0 12 76 1 0 0 0 0 12 77 1 0 0 0 0 12 78 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 28 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 30 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 32 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 71 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 M CHG 4 8 1 9 1 10 1 12 1 M END > 51546390 > 1 > 673 > 8 > 8 > 8 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA0QIAAAAAAAAAAAAAAHgAQCAAADHzxgAcCCALABgCAACBCAACACAAgIAAACIAIAAgTEAIAwQAnQAAHkACfAAPwcA8MAAAAAAAAAAAAgAAUCACgAAAAAAAAAA== > [(1R,2S,3S,4R,5S)-4-[[(2S,3R)-3-amino-6-(azaniumylmethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-5-azaniumyl-2-[(2S,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylammonio)tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-ethyl-ammonium > [(1R,2S,3S,4R,5S)-4-[[(2S,3R)-3-amino-6-(ammoniomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-5-ammonio-2-[[(2S,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylammonio)-2-oxanyl]oxy]-3-hydroxycyclohexyl]-ethylammonium > [(1R,2S,3S,4R,5S)-4-[[(2S,3R)-3-amino-6-(azaniumylmethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-5-azaniumyl-2-[(2S,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylazaniumyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-ethylazanium > [(1R,2S,3S,4R,5S)-4-[[(2S,3R)-3-amino-6-(azaniumylmethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-5-azaniumyl-2-[(2S,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylazaniumyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-ethylazanium > [(2S,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-azaniumyl-3-[[(2S,3R)-6-(azaniumylmethyl)-3-azanyl-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylazaniumyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-3,5-bis(oxidanyl)oxan-4-yl]-methyl-azanium > [(1R,2S,3S,4R,5S)-4-[[(2S,3R)-3-amino-6-(ammoniomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-5-ammonio-2-[(2S,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylammonio)tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-ethyl-ammonium > InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/p+4/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20+,21+/m1/s1 > CIDUJQMULVCIBT-GYWOEZHASA-R > -4.2 > 479.33189879 > C21H45N5O7+4 > 479.6 > CC[NH2+]C1CC(C(C(C1OC2C(C(C(CO2)(C)O)[NH2+]C)O)O)OC3C(CC=C(O3)C[NH3+])N)[NH3+] > CC[NH2+][C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@](CO2)(C)O)[NH2+]C)O)O)O[C@@H]3[C@@H](CC=C(O3)C[NH3+])N)[NH3+] > 212 > 479.33189879 > 4 > 33 > 11 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 1 6 20 1 5 19 10 5 27 11 6 17 2 6 25 2 6 18 3 5 21 5 6 22 6 5 13 8 5 15 9 5 $$$$