4369025 -OEChem-10051720313D 89 92 0 1 0 0 0 0 0999 V2000 1.6321 -1.1211 -0.4943 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1189 -1.2975 1.0517 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9109 1.5227 2.5538 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8745 3.2758 -1.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3617 3.6363 1.3585 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6946 -0.1697 -1.3321 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5245 -3.5510 1.3562 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1565 -0.2905 2.2207 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4707 -0.2707 0.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6990 -0.5822 -2.8784 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 -3.6720 0.6014 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4539 -3.0724 0.0771 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7111 2.6543 0.3516 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5995 -1.0114 -1.5459 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 2.0805 -1.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1385 0.1202 -0.7407 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4186 1.5459 1.5667 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 3.2075 -0.4439 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3912 -0.1301 0.2969 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7278 -0.0551 0.8962 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9943 -1.5302 0.0943 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7977 -0.2657 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8433 0.8852 -1.1996 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9454 1.2942 1.5960 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0187 2.2441 -0.4989 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9897 2.4703 0.6166 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5288 -2.1260 1.4370 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8964 -1.5774 -0.9908 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1230 -1.6622 1.8269 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1506 -1.8143 0.6554 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0798 -1.4244 0.0063 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9601 0.6410 -2.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -2.3464 0.4990 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6297 -0.0453 -0.3826 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3657 -2.3471 -0.4844 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8038 -0.9260 -0.8423 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7596 -2.9465 -1.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4531 0.6452 -0.2431 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7619 -0.1229 -0.4380 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6312 1.8020 0.7496 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5621 0.8373 -1.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9105 0.8396 -0.7339 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9690 1.9794 0.2844 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3835 2.6766 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8562 -0.8247 1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8348 -2.1174 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 -0.3344 0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 -1.2249 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8967 0.8880 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 1.2616 2.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0344 2.3352 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9962 2.6800 0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7111 0.3389 0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2134 -1.8803 2.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1684 -0.8797 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 -2.2350 2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -2.8777 0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 -1.8911 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9386 0.5796 -1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9908 1.4362 -2.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5276 -2.0660 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0079 0.4769 0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0553 -2.8745 -1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4522 -1.0297 -1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 -3.7396 -0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 -2.9182 -2.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 -3.2322 -2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9084 0.7675 3.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1423 1.0602 -1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9773 3.2149 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2485 3.4884 1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4312 -3.8357 1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9852 -0.7515 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8311 1.4101 1.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2641 1.0302 -0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 0.3879 -1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7499 -0.2219 2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7697 1.2584 -1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -0.7228 -3.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7084 2.7085 -0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3755 -3.9506 -0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1864 -3.0427 -0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 2.1092 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5563 3.5174 1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5187 -0.4769 -2.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4543 2.6257 -1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8493 0.7561 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8457 2.3076 1.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3117 3.7539 -0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 24 1 0 0 0 0 3 68 1 0 0 0 0 4 25 1 0 0 0 0 4 70 1 0 0 0 0 5 26 1 0 0 0 0 5 71 1 0 0 0 0 6 34 1 0 0 0 0 6 36 1 0 0 0 0 7 27 1 0 0 0 0 7 72 1 0 0 0 0 8 29 1 0 0 0 0 8 77 1 0 0 0 0 9 36 1 0 0 0 0 9 38 1 0 0 0 0 10 32 1 0 0 0 0 10 79 1 0 0 0 0 11 33 1 0 0 0 0 11 81 1 0 0 0 0 12 35 1 0 0 0 0 12 82 1 0 0 0 0 13 40 1 0 0 0 0 13 43 1 0 0 0 0 14 39 1 0 0 0 0 14 85 1 0 0 0 0 15 41 1 0 0 0 0 15 86 1 0 0 0 0 16 42 1 0 0 0 0 16 87 1 0 0 0 0 17 43 1 0 0 0 0 17 88 1 0 0 0 0 18 44 1 0 0 0 0 18 89 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 20 45 1 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 32 1 0 0 0 0 23 49 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 37 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 41 1 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 69 1 0 0 0 0 39 42 1 0 0 0 0 39 73 1 0 0 0 0 40 44 1 0 0 0 0 40 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 43 1 0 0 0 0 42 78 1 0 0 0 0 43 80 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 M END > DB04226 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CUAQESWNTOXZJZ-RTNAABQMSA-N/SDF?record_type=3d > [H][C@]1(CO)C[C@]([H])(N[C@]2([H])[C@@]([H])(C)O[C@]([H])(O[C@@]3([H])[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O[C@@]4([H])[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)O[C@]4([H])CO)O[C@]3([H])CO)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O > InChI=1S/C25H45NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h6-39H,2-5H2,1H3/t6-,7-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23+,24-,25-/m1/s1 > CUAQESWNTOXZJZ-RTNAABQMSA-N > C25H45NO18 > 647.6207 > 647.263663641 > 19 > 89 > 0.8833791538228537 > 62.6767011924684 > 0 > 14 > 0 > 0 > (2S,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol > -2.83 > -7.5571912983333345 > -0.54 > 1 > 1 > 4 > 1 > 12.010323275550904 > 11.226601914276161 > 7.879745232799299 > 321.17 > 137.03859999999995 > 9 > 0 > 1.87e+02 g/l > biotin > 0 $$$$