71587158 -OEChem-04252311143D 71 72 0 1 0 0 0 0 0999 V2000 -1.0965 -2.0328 -0.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 0.0426 0.6585 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1396 0.6846 0.5449 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8603 -0.9854 -0.9707 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 -2.0711 0.2681 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3175 -3.8875 -0.5939 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 2.6208 -0.8315 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1938 1.4737 -0.7208 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6737 -1.0317 -1.7624 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 2.9221 1.0542 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -3.8241 1.1936 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 3.2422 -0.7017 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 0.0019 3.1061 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0174 4.8776 1.1906 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 0.6987 -2.9729 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9265 0.3549 -0.6738 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2606 -0.9269 -0.6292 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8122 -1.8033 0.5011 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7417 -0.7572 -0.4838 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0368 -3.1235 0.5813 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5310 -2.8462 0.6787 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2497 0.7918 0.4636 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5867 0.4056 -0.7810 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8252 1.2463 -1.1068 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9658 -0.0545 0.8650 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0276 0.7786 -0.2873 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2300 -0.7330 -0.4365 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4337 2.1364 1.1884 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9227 -1.4809 -0.1412 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6906 -4.1181 0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 2.9984 0.7003 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0387 -2.9790 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0204 -0.3874 2.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1394 1.0574 -1.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7034 4.3597 1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8762 2.3489 -1.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4673 -1.4273 -1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7386 -1.2713 1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3894 -0.2711 -1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -3.7156 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3277 -2.3063 1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1305 1.0577 -0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7963 0.6862 -1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0641 1.1689 -2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -1.0273 0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8759 1.0373 0.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0269 -1.0688 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 1.9400 2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6488 -1.3390 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 0.7688 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1411 -4.8954 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5574 -4.4983 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 2.4493 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5072 -2.6368 0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -3.5101 -1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2139 -3.1919 -1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1017 -3.4808 -0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8471 -3.4222 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2007 -1.0205 2.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7904 2.8832 -1.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9934 5.0794 0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5429 4.2691 2.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9421 1.1456 -0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9278 -0.8929 -2.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 3.6131 1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1037 -4.6475 1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 3.7657 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5478 3.0899 -2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9492 2.1739 -1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6824 2.7483 -0.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0511 5.7398 1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 25 1 0 0 0 0 4 23 1 0 0 0 0 4 29 1 0 0 0 0 5 18 1 0 0 0 0 5 54 1 0 0 0 0 6 20 1 0 0 0 0 6 55 1 0 0 0 0 7 24 1 0 0 0 0 7 60 1 0 0 0 0 8 26 1 0 0 0 0 8 63 1 0 0 0 0 9 27 1 0 0 0 0 9 64 1 0 0 0 0 10 28 1 0 0 0 0 10 65 1 0 0 0 0 11 30 1 0 0 0 0 11 66 1 0 0 0 0 12 31 1 0 0 0 0 12 67 1 0 0 0 0 13 33 2 0 0 0 0 14 35 1 0 0 0 0 14 71 1 0 0 0 0 15 34 2 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 30 1 0 0 0 0 21 41 1 0 0 0 0 22 25 1 0 0 0 0 22 28 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 25 33 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 31 1 0 0 0 0 28 48 1 0 0 0 0 29 32 1 0 0 0 0 29 49 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 35 1 0 0 0 0 31 53 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 36 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 M END > DB17689 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FLZWAAFMRTZQGV-ULZIYQADSA-N/SDF?record_type=3d > [H][C@@]1(O[C@@H](C=O)[C@@H](O[C@@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)CO)O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C20H35NO15/c1-6-12(27)16(31)17(32)20(33-6)35-10(5-24)18(13(28)8(26)3-22)36-19-11(21-7(2)25)15(30)14(29)9(4-23)34-19/h5-6,8-20,22-23,26-32H,3-4H2,1-2H3,(H,21,25)/t6-,8+,9+,10-,11+,12+,13-,14-,15+,16+,17-,18+,19+,20-/m0/s1 > FLZWAAFMRTZQGV-ULZIYQADSA-N > C20H35NO15 > 529.492 > 529.200669431 > 15 > 71 > 0.914389766561554 > 49.260223918337246 > 0 > 10 > 0 > 0 > N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(2R,3S,4S,5R)-4,5,6-trihydroxy-1-oxo-2-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-3-yl]acetamide > -6.351157081333333 > 0 > 0 > 2 > 0 > 265.15999999999997 > 111.7298 > 11 > 0 > α-trisaccharide > 0 $$$$