Mrv1652310011601242D 102106 0 0 1 0 999 V2000 4.0441 11.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4066 9.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9684 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0817 9.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7566 4.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9816 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2816 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 7.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 11.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9941 8.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 6.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4934 6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8354 9.0282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1691 5.4730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5691 6.9020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6941 6.9020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0441 8.3309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2191 9.7599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9941 6.9020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7309 6.9020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9941 5.4730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9816 7.6164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5191 6.9020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0441 9.7599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6361 7.7952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4646 6.9882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7441 8.3309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5191 8.3309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9059 6.9020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9216 8.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 9.0454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4066 6.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5691 8.3309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9316 7.6164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8066 9.0454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1691 6.9020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6441 6.9020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3316 7.6164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6941 8.3309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8066 10.4743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4066 7.6164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3809 5.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7441 5.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9955 10.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9316 4.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5691 5.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6941 5.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0441 6.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8066 11.9033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1691 8.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 5.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 5.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5028 9.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 7.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4066 4.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8066 7.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9316 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 10.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3898 8.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0166 6.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 9.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9316 9.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7566 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7441 6.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2816 7.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 8.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4934 7.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3085 7.6556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2816 9.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2316 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9816 9.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7566 7.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 6.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 6.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1679 8.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5816 4.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3941 6.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1066 6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8691 8.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6316 10.4743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8191 6.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8191 5.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3941 8.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3441 6.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8691 9.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2772 7.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1689 6.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 9.0454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3441 8.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 7.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6135 8.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6316 9.0454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5816 6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 7.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1066 7.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3941 9.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5816 7.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0566 7.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 8.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1066 9.0454 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 0 0 0 0 15 6 1 1 0 0 0 16 7 1 1 0 0 0 17 8 1 1 0 0 0 18 9 1 1 0 0 0 21 12 1 0 0 0 0 22 15 1 0 0 0 0 23 16 1 0 0 0 0 24 17 1 0 0 0 0 25 19 1 0 0 0 0 27 26 1 0 0 0 0 30 13 1 0 0 0 0 30 21 1 0 0 0 0 31 14 1 0 0 0 0 31 26 1 0 0 0 0 32 18 1 0 0 0 0 32 25 1 0 0 0 0 33 20 1 0 0 0 0 33 22 1 0 0 0 0 34 23 1 0 0 0 0 34 28 1 0 0 0 0 35 24 1 0 0 0 0 35 29 1 0 0 0 0 36 19 1 0 0 0 0 37 20 1 0 0 0 0 38 27 1 0 0 0 0 39 28 1 0 0 0 0 40 29 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 6 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 9 1 0 0 0 0 50 10 1 0 0 0 0 51 11 1 0 0 0 0 12 52 1 6 0 0 0 13 53 1 6 0 0 0 14 54 1 6 0 0 0 21 55 1 6 0 0 0 22 56 1 6 0 0 0 23 57 1 6 0 0 0 24 58 1 1 0 0 0 25 59 1 1 0 0 0 26 60 1 6 0 0 0 27 61 1 1 0 0 0 28 62 1 1 0 0 0 29 63 1 6 0 0 0 64 15 1 0 0 0 0 64 37 1 0 0 0 0 65 16 1 0 0 0 0 65 39 1 0 0 0 0 66 17 1 0 0 0 0 66 40 1 0 0 0 0 67 18 1 0 0 0 0 67 36 1 0 0 0 0 30 68 1 6 0 0 0 39 68 1 1 0 0 0 69 31 1 0 0 0 0 69 38 1 0 0 0 0 32 70 1 6 0 0 0 40 70 1 1 0 0 0 33 71 1 1 0 0 0 38 71 1 1 0 0 0 34 72 1 6 0 0 0 36 72 1 1 0 0 0 35 73 1 1 0 0 0 37 73 1 1 0 0 0 12 74 1 6 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 6 0 0 0 17 79 1 6 0 0 0 18 80 1 6 0 0 0 19 81 1 1 0 0 0 20 82 1 1 0 0 0 21 83 1 6 0 0 0 22 84 1 1 0 0 0 23 85 1 1 0 0 0 24 86 1 6 0 0 0 25 87 1 6 0 0 0 26 88 1 1 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 93 31 1 0 0 0 0 32 94 1 6 0 0 0 33 95 1 1 0 0 0 34 96 1 6 0 0 0 35 97 1 1 0 0 0 36 98 1 6 0 0 0 37 99 1 6 0 0 0 38100 1 1 0 0 0 39101 1 6 0 0 0 40102 1 6 0 0 0 M END > BMDB0006667 > bmdb > [H][C@@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O[C@]5([H])OC([H])([C@]([H])(O)CO)[C@]([H])(O)[C@@]5([H])O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([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(50)41-19-25(59)32(18(9-49)67-36(19)72-34-23(57)16(7-47)65-39(28(34)62)68-30(13(53)4-44)21(55)12(52)3-43)70-40-29(63)35(24(58)17(8-48)66-40)73-37-20(42-11(2)51)33(22(56)15(6-46)64-37)71-38-27(61)26(60)31(69-38)14(54)5-45/h3,12-40,44-49,52-63H,4-9H2,1-2H3,(H,41,50)(H,42,51)/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 > CECUNSINFZGPFB-QYAUFHSJSA-N > C40H68N2O31 > 1072.967 > 1072.380603418 > 33 > 141 > 102.11022072181056 > 0 > 20 > 0 > 0 > N-[(2S,3R,4S,5S,6R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3R,4R,5R,6S)-6-{[(2R,3R,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-{[(2R,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid > -2.39 > -11.359400924666666 > -0.62 > 1 > 5 > 0 > 5.763650104126829 > 5.161465416842944 > -3.685193522439901 > 538.6900000000003 > 222.6581000000002 > 23 > 0 > 2.56e+02 g/l > N-[(2S,3R,4S,5S,6R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3R,4R,5R,6S)-6-{[(2R,3R,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-{[(2R,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid > 0 > BMDB0006667 > O-b-D-galactofuranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)- D-Glucose > O-beta-D-galactofuranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Glucose; O-beta-delta-galactofuranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)- D-Glucose $$$$