Mrv0541 02231217192D 66 71 0 0 1 0 999 V2000 -6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1447 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8592 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5737 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8592 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.7171 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.8605 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.2894 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.2894 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.8605 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.4315 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.7171 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2881 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -2.8875 0.0000 C 0 0 2 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 -5.7158 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0013 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0013 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 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 -2.8579 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 1 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 -2.8579 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 14 13 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 1 0 0 0 11 24 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 6 0 0 0 4 28 1 0 0 0 0 28 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 2 32 1 0 0 0 0 32 33 1 1 0 0 0 34 33 1 6 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 36 39 1 0 0 0 0 39 40 1 6 0 0 0 41 40 1 6 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 6 0 0 0 44 45 1 0 0 0 0 43 46 1 0 0 0 0 46 47 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 1 0 0 0 51 52 1 0 0 0 0 50 53 1 0 0 0 0 53 54 1 6 0 0 0 53 55 1 0 0 0 0 55 56 1 1 0 0 0 55 57 1 0 0 0 0 48 57 1 0 0 0 0 57 58 1 6 0 0 0 46 59 1 0 0 0 0 59 60 1 6 0 0 0 59 61 1 0 0 0 0 41 61 1 0 0 0 0 61 62 1 1 0 0 0 39 63 1 0 0 0 0 63 64 1 6 0 0 0 63 65 1 0 0 0 0 34 65 1 0 0 0 0 65 66 1 1 0 0 0 M END > DB03971 > drugbank > C[C@H]1O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](OC[C@@H]3O[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O > InChI=1S/C37H63NO28/c1-8-15(19(46)26(53)35(59-8)65-31-12(5-41)62-34(28(55)23(31)50)58-7-14-18(45)20(47)25(52)33(57)60-14)38-10-2-9(3-39)30(22(49)16(10)43)64-37-29(56)24(51)32(13(6-42)63-37)66-36-27(54)21(48)17(44)11(4-40)61-36/h2,8,10-57H,3-7H2,1H3/t8-,10+,11+,12+,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+/m1/s1 > InChIKey=MBNITLCAVXHYER-AGOKNQOUSA-N > 29 > 93.77420502561463 > 0 > 20 > 969.353660437 > 0 > C37H63NO28 > 0 > (2S,3S,4R,5R,6S)-6-({[(2R,3R,4R,5S,6S)-5-{[(2S,3R,4S,5S,6R)-5-{[(1S,4R,5S,6R)-4-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol > -2.68 > -11.156230148 > -0.98 > 969.886 > 1 > 6 > 1 > 11.82051318015656 > 11.179834727390674 > 7.331546185953023 > 479.4700000000002 > 202.4290000000001 > 15 > 0 > 1.01e+02 g/l > (2S,3S,4R,5R,6S)-6-({[(2R,3R,4R,5S,6S)-5-{[(2S,3R,4S,5S,6R)-5-{[(1S,4R,5S,6R)-4-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol > 0 > DB03971 > experimental > Acarbose Derived Hexasaccharide $$$$