70680342 -OEChem-05082414122D 84 86 0 1 0 0 0 0 0999 V2000 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 -3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 6 0 0 0 24 1 1 1 0 0 0 2 21 1 0 0 0 0 2 27 1 0 0 0 0 3 24 1 0 0 0 0 3 30 1 0 0 0 0 4 29 1 0 0 0 0 32 4 1 1 0 0 0 5 32 1 0 0 0 0 5 35 1 0 0 0 0 22 6 1 6 0 0 0 6 65 1 0 0 0 0 26 7 1 1 0 0 0 7 69 1 0 0 0 0 27 8 1 1 0 0 0 8 70 1 0 0 0 0 28 9 1 6 0 0 0 9 71 1 0 0 0 0 33 10 1 1 0 0 0 10 72 1 0 0 0 0 34 11 1 6 0 0 0 11 73 1 0 0 0 0 12 36 1 0 0 0 0 12 74 1 0 0 0 0 13 37 1 0 0 0 0 13 81 1 0 0 0 0 14 38 2 0 0 0 0 15 39 2 0 0 0 0 16 40 2 0 0 0 0 23 17 1 1 0 0 0 17 38 1 0 0 0 0 17 61 1 0 0 0 0 25 18 1 6 0 0 0 18 39 1 0 0 0 0 18 62 1 0 0 0 0 31 19 1 6 0 0 0 19 40 1 0 0 0 0 19 66 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 21 29 1 6 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 27 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 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 51 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 36 1 1 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 59 1 0 0 0 0 35 37 1 1 0 0 0 35 60 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 40 43 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 43 82 1 0 0 0 0 43 83 1 0 0 0 0 43 84 1 0 0 0 0 M END > 70680342 > 1 > 962 > 16 > 11 > 10 > AAADcfB7PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJAAAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAnQAAHFgCXAAHwcA8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-[(2S,3R,4R,5R,6R)-5-[(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]-2,4-dihydroxy-tetrahydropyran-3-yl]acetamide > N-[(2S,3R,4R,5R,6R)-5-[[(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]-2,4-dihydroxy-3-oxanyl]acetamide > N-[(2S,3R,4R,5R,6R)-5-[(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]-2,4-dihydroxyoxan-3-yl]acetamide > N-[(2S,3R,4R,5R,6R)-5-[(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]-2,4-dihydroxyoxan-3-yl]acetamide > N-[(2S,3R,4R,5R,6R)-5-[(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]-2,4-bis(oxidanyl)oxan-3-yl]ethanamide > N-[(2S,3R,4R,5R,6R)-5-[(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]-2,4-dihydroxy-tetrahydropyran-3-yl]acetamide > InChI=1S/C24H41N3O16/c1-7(30)25-13-20(37)21(43-24-15(27-9(3)32)19(36)17(34)11(5-29)42-24)12(40-22(13)38)6-39-23-14(26-8(2)31)18(35)16(33)10(4-28)41-23/h10-24,28-29,33-38H,4-6H2,1-3H3,(H,25,30)(H,26,31)(H,27,32)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24+/m1/s1 > SSUUMLTVVTWINF-XFZHNGNHSA-N > -6.3 > 627.24868223 > C24H41N3O16 > 627.6 > CC(=O)NC1C(C(C(OC1O)COC2C(C(C(C(O2)CO)O)O)NC(=O)C)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)O > CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O > 295 > 627.24868223 > 0 > 43 > 15 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 1 6 24 1 5 33 10 5 34 11 6 23 17 5 25 18 6 31 19 6 21 29 6 30 36 5 35 37 5 32 4 5 22 6 6 26 7 5 27 8 5 28 9 6 $$$$