123966 -OEChem-10051719513D 87 89 0 1 0 0 0 0 0999 V2000 0.2023 1.0250 1.0554 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6044 1.0878 -0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3213 0.1725 0.3852 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 0.0391 -1.5213 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6012 0.1440 -0.2644 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4726 -0.1052 -0.0157 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3237 3.3889 1.7401 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 0.0036 2.2097 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8539 3.3614 0.7991 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5867 2.6955 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9544 -1.3118 2.6811 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3847 -3.5590 1.5498 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5769 -3.3903 -1.3116 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9214 3.5037 -1.9063 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 -2.1239 -1.7287 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1773 0.5335 -2.9043 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5726 -1.1972 -1.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1933 -3.2724 -0.4718 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1123 -1.1036 1.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1799 -4.0894 1.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8198 0.8493 0.4066 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9118 1.5401 0.2859 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1362 1.2176 -0.0044 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3883 1.9683 1.6630 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9939 1.4035 1.9438 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0521 1.6367 0.7607 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8610 1.6504 -0.8325 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3111 2.0316 0.5415 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6066 -0.1363 -0.5530 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4482 2.0829 -0.4769 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6752 0.0654 0.8213 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8059 0.6890 -0.9951 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9277 -1.1956 1.6491 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9000 -2.4538 0.7835 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8033 -2.2852 -0.4398 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5127 -0.9650 -1.1664 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6848 3.0686 -1.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4786 -0.8978 -1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3971 -1.0111 -0.6272 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5058 -0.7014 -2.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7609 -0.3234 -0.8133 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4126 -2.2896 0.2238 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5201 0.0725 0.4603 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0338 -2.8981 0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6278 1.0790 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7767 2.1530 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 1.7950 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 1.6346 2.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5584 1.8679 2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8808 2.7120 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2076 1.0254 -1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 1.6323 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9801 -0.7620 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1422 2.7110 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9102 0.9095 1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4776 0.8521 -1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9112 -1.1250 2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8741 -2.7070 0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8547 -2.3243 -0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5055 -0.9765 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3638 3.7779 -0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9282 3.0792 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3349 -1.1247 -0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0921 -0.3371 -2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0324 -1.3120 -1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 3.7318 1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6671 -0.1080 2.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5495 3.7457 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5260 -0.6205 -1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4690 -1.4907 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3122 3.5709 0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6090 0.5861 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8764 -2.1159 1.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0145 -0.5118 3.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2926 -3.3567 1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6563 -3.3442 -1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7826 4.3996 -2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2617 -2.5913 -2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8468 0.5043 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5537 -3.1656 -0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3921 -2.2206 1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8223 0.6829 -3.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3952 -0.7234 -1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -4.0724 0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2942 2.0710 -0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6609 -1.5106 0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2881 -4.4545 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 22 1 0 0 0 0 3 31 1 0 0 0 0 4 29 1 0 0 0 0 4 32 1 0 0 0 0 5 31 1 0 0 0 0 5 36 1 0 0 0 0 6 32 1 0 0 0 0 6 39 1 0 0 0 0 7 24 1 0 0 0 0 7 66 1 0 0 0 0 8 25 1 0 0 0 0 8 67 1 0 0 0 0 9 28 1 0 0 0 0 9 68 1 0 0 0 0 10 30 1 0 0 0 0 10 71 1 0 0 0 0 11 33 1 0 0 0 0 11 74 1 0 0 0 0 12 34 1 0 0 0 0 12 75 1 0 0 0 0 13 35 1 0 0 0 0 13 76 1 0 0 0 0 14 37 1 0 0 0 0 14 77 1 0 0 0 0 15 38 1 0 0 0 0 15 78 1 0 0 0 0 16 40 1 0 0 0 0 16 82 1 0 0 0 0 17 41 1 0 0 0 0 17 83 1 0 0 0 0 18 42 1 0 0 0 0 18 84 1 0 0 0 0 19 43 1 0 0 0 0 19 86 1 0 0 0 0 20 44 1 0 0 0 0 20 87 1 0 0 0 0 21 45 2 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 22 46 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 37 1 0 0 0 0 27 51 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 38 1 0 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 36 1 0 0 0 0 35 59 1 0 0 0 0 36 40 1 0 0 0 0 36 60 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 39 65 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 41 43 1 0 0 0 0 41 72 1 0 0 0 0 42 44 1 0 0 0 0 42 73 1 0 0 0 0 43 45 1 0 0 0 0 43 79 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 45 85 1 0 0 0 0 M END > DB02237 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UYQJCPNSAVWAFU-KVXMBEGHSA-N/SDF?record_type=3d > OC[C@@H](O)[C@@H](O[C@H]1O[C@H](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)[C@H](O)[C@@H](O)C=O > InChI=1S/C24H42O21/c25-1-6(30)11(32)19(7(31)2-26)43-23-17(38)14(35)21(9(4-28)41-23)45-24-18(39)15(36)20(10(5-29)42-24)44-22-16(37)13(34)12(33)8(3-27)40-22/h1,6-24,26-39H,2-5H2/t6-,7+,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+/m0/s1 > UYQJCPNSAVWAFU-KVXMBEGHSA-N > C24H42O21 > 666.579 > 666.221858372 > 21 > 87 > 61.45634591069869 > 0 > 14 > 0 > 0 > (2R,3R,4R,5R)-4-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal > -2.59 > -8.8808675 > -0.48 > 1 > 3 > 0 > 12.117630590294596 > 11.697539622927888 > -3.678621625224115 > 355.67 > 134.5855 > 14 > 0 > 2.21e+02 g/l > maltotetraose > 0 $$$$