Mrv1652310011600532D 102106 0 0 1 0 999 V2000 6.4302 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8592 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 9.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1447 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5737 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 10.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 5.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8592 4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2881 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 11.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2881 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 10.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 5.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8592 3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 8.6625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 6.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 7.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5737 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 9.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 5.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 8.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 11.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 10.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 11.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 6.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 10.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 11.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 6.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 10.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 4 0 0 0 11 2 1 4 0 0 0 12 3 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 1 0 0 0 15 6 1 1 0 0 0 16 7 1 6 0 0 0 17 8 1 1 0 0 0 18 9 1 6 0 0 0 21 12 1 0 0 0 0 22 14 1 0 0 0 0 23 15 1 0 0 0 0 24 16 1 0 0 0 0 25 18 1 0 0 0 0 26 19 1 0 0 0 0 27 22 1 0 0 0 0 28 23 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 32 13 1 0 0 0 0 32 21 1 0 0 0 0 33 17 1 0 0 0 0 33 26 1 0 0 0 0 34 20 1 0 0 0 0 34 24 1 0 0 0 0 35 25 1 0 0 0 0 35 31 1 0 0 0 0 36 19 1 0 0 0 0 37 20 1 0 0 0 0 38 29 1 0 0 0 0 39 30 1 0 0 0 0 40 31 1 0 0 0 0 41 10 2 0 0 0 0 19 41 1 6 0 0 0 42 11 2 0 0 0 0 20 42 1 1 0 0 0 43 3 2 0 0 0 0 44 4 1 0 0 0 0 45 5 1 0 0 0 0 46 6 1 0 0 0 0 47 7 1 0 0 0 0 48 8 1 0 0 0 0 49 10 1 0 0 0 0 50 11 1 0 0 0 0 12 51 1 1 0 0 0 13 52 1 6 0 0 0 21 53 1 1 0 0 0 22 54 1 1 0 0 0 23 55 1 1 0 0 0 24 56 1 1 0 0 0 25 57 1 1 0 0 0 26 58 1 1 0 0 0 27 59 1 6 0 0 0 28 60 1 6 0 0 0 29 61 1 6 0 0 0 30 62 1 6 0 0 0 31 63 1 6 0 0 0 64 9 1 0 0 0 0 36 64 1 1 0 0 0 65 16 1 0 0 0 0 65 37 1 0 0 0 0 66 14 1 0 0 0 0 66 38 1 0 0 0 0 67 15 1 0 0 0 0 67 39 1 0 0 0 0 68 17 1 0 0 0 0 68 36 1 0 0 0 0 69 18 1 0 0 0 0 69 40 1 0 0 0 0 32 70 1 1 0 0 0 40 70 1 1 0 0 0 33 71 1 6 0 0 0 38 71 1 1 0 0 0 34 72 1 1 0 0 0 39 72 1 1 0 0 0 35 73 1 6 0 0 0 37 73 1 6 0 0 0 12 74 1 1 0 0 0 13 75 1 6 0 0 0 14 76 1 6 0 0 0 15 77 1 6 0 0 0 16 78 1 1 0 0 0 17 79 1 6 0 0 0 18 80 1 1 0 0 0 19 81 1 1 0 0 0 20 82 1 6 0 0 0 21 83 1 1 0 0 0 22 84 1 6 0 0 0 23 85 1 6 0 0 0 24 86 1 6 0 0 0 25 87 1 6 0 0 0 26 88 1 6 0 0 0 27 89 1 6 0 0 0 28 90 1 6 0 0 0 29 91 1 1 0 0 0 30 92 1 1 0 0 0 31 93 1 1 0 0 0 32 94 1 1 0 0 0 33 95 1 6 0 0 0 34 96 1 1 0 0 0 35 97 1 6 0 0 0 36 98 1 6 0 0 0 37 99 1 1 0 0 0 38100 1 6 0 0 0 39101 1 6 0 0 0 40102 1 6 0 0 0 M END > BMDB0002295 > bmdb > [H][C@@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@@]([H])(CO[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@@]2([H])N=C(C)O)[C@@]1([H])O)[C@]([H])(O)[C@@]([H])(O)C=O > InChI=1S/C40H68N2O31/c1-10(49)41-19-26(58)33(71-38-29(61)27(59)22(54)14(5-45)66-38)17(8-48)68-36(19)64-9-18-25(57)35(31(63)40(69-18)70-32(13(52)4-44)21(53)12(51)3-43)73-37-20(42-11(2)50)34(24(56)16(7-47)65-37)72-39-30(62)28(60)23(55)15(6-46)67-39/h3,12-40,44-48,51-63H,4-9H2,1-2H3,(H,41,49)(H,42,50)/t12-,13+,14+,15+,16+,17+,18-,19+,20+,21+,22-,23-,24+,25-,26+,27-,28-,29+,30+,31+,32+,33-,34+,35-,36+,37-,38-,39-,40-/m0/s1 > ZDZMLVPSYYRJNI-DVBWNIQLSA-N > C40H68N2O31 > 1072.967 > 1072.380603418 > 33 > 141 > 100.40555259465715 > 0 > 20 > 0 > 0 > N-[(2S,3R,4R,5S,6R)-2-{[(2S,3S,4S,5R,6S)-3,5-dihydroxy-2-({[(2R,3R,4R,5R,6R)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanimidic acid > -2.42 > -11.359400924666666 > -0.60 > 1 > 5 > 0 > 5.768233251065612 > 5.165502921365731 > -3.678621623393987 > 538.6900000000003 > 222.6581000000002 > 22 > 0 > 2.69e+02 g/l > N-[(2S,3R,4R,5S,6R)-2-{[(2S,3S,4S,5R,6S)-3,5-dihydroxy-2-({[(2R,3R,4R,5R,6R)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanimidic acid > 0 > BMDB0002295 > O-6-deoxy-a-L-galactopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->3(or 1->6)]-O-[O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->6(or 1->3)]]-O-b-D-galactopyranosyl-(1->4)-D-G $$$$