CDK 0528202334 62 65 0 0 0 0 0 0 0 0999 V2000 5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 5.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -5.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 5.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -6.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 6.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -6.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 6.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -5.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 1 36 1 0 0 0 0 29 2 1 1 0 0 0 39 2 1 1 0 0 0 31 3 1 1 0 0 0 41 3 1 1 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 37 5 1 1 0 0 0 40 5 1 1 0 0 0 6 36 1 0 0 0 0 6 54 1 0 0 0 0 7 39 1 0 0 0 0 7 49 1 0 0 0 0 8 41 1 0 0 0 0 8 50 1 0 0 0 0 30 9 1 6 0 0 0 34 10 1 6 0 0 0 35 11 1 1 0 0 0 42 12 1 6 0 0 0 43 13 1 6 0 0 0 44 14 1 1 0 0 0 45 15 1 1 0 0 0 46 16 1 1 0 0 0 47 17 1 1 0 0 0 48 18 1 1 0 0 0 51 19 1 1 0 0 0 20 52 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 2 0 0 0 0 26 61 2 0 0 0 0 32 27 1 1 0 0 0 27 59 1 0 0 0 0 53 28 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 30 32 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 33 52 1 6 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 38 55 1 1 0 0 0 39 42 1 0 0 0 0 40 45 1 0 0 0 0 40 53 1 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 43 46 1 0 0 0 0 44 47 1 0 0 0 0 45 51 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 49 56 1 1 0 0 0 50 57 1 1 0 0 0 51 54 1 0 0 0 0 53 58 1 6 0 0 0 59 60 1 0 0 0 0 61 62 1 0 0 0 0 M END > CHEBI:151913 > N-[(3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide > 2 > WURCS=2.0/3,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1x_1-5_2*NCC/3=O]/1-2-2-3-2/a3-b1_a6-d1_b3-c1_d4-e1 > C34H60N2O26 > 912.842 > 912.34343 > 0 > O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](NC(=O)C)C1OC[C@@H](O)[C@H](O)[C@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)CO)[C@@H](NC(=O)C)CO)CO > InChI=1S/C34H60N2O26/c1-9(42)35-11(3-37)28(60-34-27(54)30(21(48)15(6-40)58-34)62-33-26(53)24(51)20(47)14(5-39)57-33)18(45)12(44)8-55-31-17(36-10(2)43)22(49)29(16(7-41)59-31)61-32-25(52)23(50)19(46)13(4-38)56-32/h11-34,37-41,44-54H,3-8H2,1-2H3,(H,35,42)(H,36,43)/t11-,12+,13+,14+,15+,16+,17+,18-,19-,20-,21-,22+,23-,24-,25+,26+,27+,28+,29+,30-,31?,32-,33-,34-/m0/s1 > GRPWBNSAQUBRBA-RUSYCGGMSA-N $$$$