Mrv1652310011600502D 101105 0 0 1 0 999 V2000 1.0365 13.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3276 17.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 13.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3974 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9776 12.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 10.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5026 11.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 13.6638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7401 16.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 12.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 8.6625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9224 8.6625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5651 13.6638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6151 10.8059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1401 9.3770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0901 12.2349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7401 15.0927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7901 12.2349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3776 14.3783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1599 9.3770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9776 14.3783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0276 11.5204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5526 10.0914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5026 12.9493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5651 15.0927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7901 15.0927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6151 15.0927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6849 10.8059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3349 9.3770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6151 12.2349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1401 10.8059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0901 13.6638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2651 13.6638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3276 14.3783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3776 11.5204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0276 14.3783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0974 10.0914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8526 12.9493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3276 15.8072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 12.9493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8099 7.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 7.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8026 12.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 9.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 7.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3276 11.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5651 16.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 12.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 7.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 7.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 14.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 10.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8026 14.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8526 11.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 10.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3276 12.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9776 15.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 15.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 15.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 11.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 13.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7401 13.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 10.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 9.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2651 12.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9224 10.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 12.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 11.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5026 14.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8526 14.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 12.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 9.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 9.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3901 13.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 10.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 9.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9151 12.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1526 15.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 11.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 15.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7474 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3901 15.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 12.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 10.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9151 13.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1526 14.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 14.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 15.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 11.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7474 10.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 12.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 10.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 12.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 14.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9151 15.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 12.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 15.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 10.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 13.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 1 0 0 0 11 2 1 4 0 0 0 12 3 1 4 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 10 1 0 0 0 0 22 13 1 0 0 0 0 23 15 1 0 0 0 0 24 16 1 0 0 0 0 25 17 1 0 0 0 0 26 18 1 0 0 0 0 27 19 1 0 0 0 0 27 23 1 0 0 0 0 28 21 1 0 0 0 0 29 28 1 0 0 0 0 31 14 1 0 0 0 0 31 22 1 0 0 0 0 32 20 1 0 0 0 0 32 24 1 0 0 0 0 33 25 1 0 0 0 0 33 30 1 0 0 0 0 34 26 1 0 0 0 0 35 34 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 35 1 0 0 0 0 41 11 2 0 0 0 0 19 41 1 6 0 0 0 42 12 2 0 0 0 0 20 42 1 1 0 0 0 43 4 2 0 0 0 0 44 5 1 0 0 0 0 45 6 1 0 0 0 0 46 7 1 0 0 0 0 47 8 1 0 0 0 0 48 9 1 0 0 0 0 49 11 1 0 0 0 0 50 12 1 0 0 0 0 13 51 1 6 0 0 0 14 52 1 6 0 0 0 21 53 1 1 0 0 0 22 54 1 6 0 0 0 23 55 1 1 0 0 0 24 56 1 6 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 63 10 1 0 0 0 0 63 38 1 0 0 0 0 64 15 1 0 0 0 0 64 36 1 0 0 0 0 65 16 1 0 0 0 0 65 37 1 0 0 0 0 66 17 1 0 0 0 0 66 39 1 0 0 0 0 67 18 1 0 0 0 0 67 40 1 0 0 0 0 31 68 1 6 0 0 0 39 68 1 1 0 0 0 32 69 1 1 0 0 0 40 69 1 6 0 0 0 33 70 1 6 0 0 0 37 70 1 1 0 0 0 34 71 1 6 0 0 0 36 71 1 6 0 0 0 35 72 1 6 0 0 0 38 72 1 6 0 0 0 10 73 1 6 0 0 0 13 74 1 6 0 0 0 14 75 1 6 0 0 0 15 76 1 6 0 0 0 16 77 1 6 0 0 0 17 78 1 6 0 0 0 18 79 1 6 0 0 0 19 80 1 1 0 0 0 20 81 1 1 0 0 0 21 82 1 6 0 0 0 22 83 1 6 0 0 0 23 84 1 6 0 0 0 24 85 1 1 0 0 0 25 86 1 6 0 0 0 26 87 1 6 0 0 0 27 88 1 6 0 0 0 28 89 1 6 0 0 0 29 90 1 1 0 0 0 30 91 1 1 0 0 0 31 92 1 1 0 0 0 32 93 1 6 0 0 0 33 94 1 6 0 0 0 34 95 1 6 0 0 0 35 96 1 1 0 0 0 36 97 1 1 0 0 0 37 98 1 6 0 0 0 38 99 1 1 0 0 0 39100 1 6 0 0 0 40101 1 1 0 0 0 M END > BMDB0002071 > 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@]([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@@]4([H])N=C(C)O)[C@@]3([H])O[C@]3([H])O[C@@]([H])(C)[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/C40H68N2O30/c1-10-21(53)28(60)29(61)38(63-10)72-35-34(71-36-19(41-11(2)49)27(59)23(55)15(6-45)64-36)26(58)18(9-48)67-40(35)69-32-20(42-12(3)50)37(65-16(7-46)24(32)56)70-33-25(57)17(8-47)66-39(30(33)62)68-31(14(52)5-44)22(54)13(51)4-43/h4,10,13-40,44-48,51-62H,5-9H2,1-3H3,(H,41,49)(H,42,50)/t10-,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 > UCLWMVLXXHCQHW-AZJYHEFWSA-N > C40H68N2O30 > 1056.968 > 1056.385688798 > 32 > 140 > 98.92447017578327 > 0 > 19 > 0 > 0 > N-[(2R,3R,4R,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,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}-5-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid > -2.18 > -10.312490957999998 > -0.64 > 1 > 5 > 0 > 5.738220729112528 > 5.133915847360915 > -3.655530590723787 > 518.4600000000003 > 221.1144000000002 > 21 > 0 > 2.44e+02 g/l > N-[(2R,3R,4R,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,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}-5-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid > 0 > BMDB0002071 > O-2-(acetylamino)-2-deoxy-a-D-Gal-(1->3)-O-[6-deoxy-a-L-Gal-(1->2)]-O-b-D-Gal-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-Glc-(1->3)-O-b-D-Gal-(1->4)-D-Glucose > O-2-(acetylamino)-2-deoxy-a-D-galactopyranosyl-(1->3)-O-[6-deoxy-a-L-galactopyranosyl-(1->2)]-O-b-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-D-Glucose; O-2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl-(1->3)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-O-beta-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-D-Glucose $$$$