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0 0 0 0 0 3.4030 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 0.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 0.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 1.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -2.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -3.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 2.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 2.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 3.1900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 3.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 2.1900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 1.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 2.1900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 3.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 3.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 4.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 5.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 -6.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 -5.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 5.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 4.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 25 2 1 1 0 0 0 31 2 1 1 0 0 0 29 3 1 1 0 0 0 30 3 1 1 0 0 0 4 31 1 0 0 0 0 4 39 1 0 0 0 0 5 35 1 0 0 0 0 5 40 1 0 0 0 0 6 37 1 0 0 0 0 41 6 1 1 0 0 0 26 7 1 1 0 0 0 7 79 1 0 0 0 0 27 8 1 6 0 0 0 8 80 1 0 0 0 0 9 41 1 0 0 0 0 9 45 1 0 0 0 0 33 10 1 6 0 0 0 10 85 1 0 0 0 0 34 11 1 1 0 0 0 11 87 1 0 0 0 0 38 12 1 6 0 0 0 12 90 1 0 0 0 0 40 13 1 6 0 0 0 13 91 1 0 0 0 0 43 14 1 1 0 0 0 14 92 1 0 0 0 0 44 15 1 6 0 0 0 15 93 1 0 0 0 0 16 46 1 0 0 0 0 16 94 1 0 0 0 0 17 47 1 0 0 0 0 17 95 1 0 0 0 0 18 48 1 0 0 0 0 18 99 1 0 0 0 0 19 49 2 0 0 0 0 20 50 2 0 0 0 0 21 51 2 0 0 0 0 32 22 1 6 0 0 0 22 49 1 0 0 0 0 22 81 1 0 0 0 0 36 23 1 1 0 0 0 23 50 1 0 0 0 0 23 84 1 0 0 0 0 42 24 1 6 0 0 0 24 51 1 0 0 0 0 24 86 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 28 37 1 1 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 30 33 1 0 0 0 0 30 35 1 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 32 34 1 0 0 0 0 32 62 1 0 0 0 0 33 36 1 0 0 0 0 33 63 1 0 0 0 0 34 38 1 0 0 0 0 34 64 1 0 0 0 0 35 46 1 6 0 0 0 35 65 1 0 0 0 0 36 40 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 38 39 1 0 0 0 0 38 69 1 0 0 0 0 39 47 1 1 0 0 0 39 70 1 0 0 0 0 40 73 1 0 0 0 0 41 42 1 0 0 0 0 41 71 1 0 0 0 0 42 43 1 0 0 0 0 42 72 1 0 0 0 0 43 44 1 0 0 0 0 43 74 1 0 0 0 0 44 45 1 0 0 0 0 44 75 1 0 0 0 0 45 48 1 1 0 0 0 45 76 1 0 0 0 0 46 77 1 0 0 0 0 46 78 1 0 0 0 0 47 82 1 0 0 0 0 47 83 1 0 0 0 0 48 88 1 0 0 0 0 48 89 1 0 0 0 0 49 52 1 0 0 0 0 50 53 1 0 0 0 0 51 54 1 0 0 0 0 52 96 1 0 0 0 0 52 97 1 0 0 0 0 52 98 1 0 0 0 0 53100 1 0 0 0 0 53101 1 0 0 0 0 53102 1 0 0 0 0 54103 1 0 0 0 0 54104 1 0 0 0 0 54105 1 0 0 0 0 M END > 70680274 > 1 > 1250 > 21 > 14 > 13 > AAADcfB7PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEgAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAnQAAHFgCXAAHwcA8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-3,5-dihydroxy-tetrahydropyran-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide > N-[(2R,3R,4R,5S,6R)-5-[[(2S,3R,4S,5S,6R)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-3,5-dihydroxy-2-oxanyl]oxy]-2,4-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide > N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide > N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-3,5-dihydroxy-tetrahydropyran-2-yl]oxy-2,4-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide > InChI=1S/C30H51N3O21/c1-8(37)31-15-23(45)25(13(6-36)49-27(15)47)53-30-24(46)26(54-29-17(33-10(3)39)22(44)19(41)12(5-35)51-29)20(42)14(52-30)7-48-28-16(32-9(2)38)21(43)18(40)11(4-34)50-28/h11-30,34-36,40-47H,4-7H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26+,27-,28-,29+,30+/m1/s1 > NTQYKWMQLCGKKJ-OVCREZTJSA-N > -8.5 > 789.30150564 > C30H51N3O21 > 789.7 > CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)NC(=O)C)O)OC4C(C(C(C(O4)CO)O)O)NC(=O)C)O)O > CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)O > 374 > 789.30150564 > 0 > 54 > 20 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 33 10 6 34 11 5 38 12 6 40 13 6 43 14 5 44 15 6 25 2 5 31 2 5 32 22 6 36 23 5 42 24 6 28 37 5 29 3 5 30 3 5 35 46 6 39 47 5 45 48 5 41 6 5 26 7 5 27 8 6 $$$$