71298181 -OEChem-03192401342D 72 74 0 1 0 0 0 0 0999 V2000 6.8671 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 0.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 1.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 0.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -0.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1972 -0.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 -2.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 -1.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 18 2 1 1 0 0 0 24 2 1 1 0 0 0 21 3 1 6 0 0 0 23 3 1 1 0 0 0 4 24 1 0 0 0 0 4 31 1 0 0 0 0 19 5 1 6 0 0 0 5 56 1 0 0 0 0 6 30 1 0 0 0 0 6 33 1 0 0 0 0 25 7 1 1 0 0 0 7 61 1 0 0 0 0 26 8 1 6 0 0 0 8 62 1 0 0 0 0 27 9 1 1 0 0 0 9 63 1 0 0 0 0 28 10 1 6 0 0 0 10 64 1 0 0 0 0 29 11 1 1 0 0 0 11 65 1 0 0 0 0 12 30 1 0 0 0 0 12 66 1 0 0 0 0 13 32 1 0 0 0 0 13 67 1 0 0 0 0 14 34 1 0 0 0 0 14 71 1 0 0 0 0 15 35 1 0 0 0 0 15 72 1 0 0 0 0 16 36 2 0 0 0 0 20 17 1 1 0 0 0 17 36 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 32 1 6 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 25 28 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 33 1 0 0 0 0 28 48 1 0 0 0 0 29 31 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 34 1 1 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 35 1 1 0 0 0 33 54 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 36 37 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 M END > 71298181 > 1 > 747 > 16 > 11 > 8 > AAADcfB6PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJAAAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAnQAAHFgCXAAHwcA8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[(3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]acetamide > N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-[[(3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-3-oxanyl]acetamide > N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]acetamide > N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]acetamide > N-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(3S,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-4-oxidanyl-oxan-3-yl]ethanamide > N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-methylol-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-[(3S,4S,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]acetamide > InChI=1S/C20H35NO16/c1-5(25)21-9-12(28)16(36-20-15(31)13(29)10(26)7(3-23)34-20)8(4-24)35-19(9)37-17-14(30)11(27)6(2-22)33-18(17)32/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11-,12-,13+,14+,15-,16-,17+,18?,19+,20+/m1/s1 > REVOVWCTUZRTEK-RRKRXOHKSA-N > -6.3 > 545.19558403 > C20H35NO16 > 545.5 > CC(=O)NC1C(C(C(OC1OC2C(C(C(OC2O)CO)O)O)CO)OC3C(C(C(C(O3)CO)O)O)O)O > CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O > 278 > 545.19558403 > 0 > 37 > 14 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 28 10 6 29 11 5 30 12 3 20 17 5 18 2 5 24 2 5 22 32 6 21 3 6 23 3 5 31 34 5 33 35 5 19 5 6 25 7 5 26 8 6 27 9 5 $$$$