9871420 -OEChem-10051722553D 75 77 0 1 0 0 0 0 0999 V2000 -0.0881 1.7478 -0.2536 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9076 1.2336 1.8696 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5069 5.2904 1.0778 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1361 4.8555 -1.7558 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6189 3.9484 2.6143 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2345 1.0191 -2.9001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9946 -1.0637 -2.8348 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8255 -0.5063 -1.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3081 -2.3985 0.2693 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3042 -0.8531 0.2909 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6626 0.2948 0.5683 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 4.4496 0.5304 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0277 3.8383 -0.7635 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1254 3.3655 1.5448 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0968 2.7343 -1.2703 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7306 2.2717 0.9063 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6709 2.0298 -2.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6571 0.1578 1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -1.1721 1.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -1.7456 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 -0.9433 -0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7477 -1.8594 2.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 -3.1688 1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 -2.0031 2.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7498 -0.7971 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2412 0.0455 -1.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0482 -0.2170 -2.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8885 -3.1365 1.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -1.0026 2.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1327 -3.2693 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8104 -1.1355 1.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0937 -2.2688 0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9362 -2.4079 -2.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6762 -1.3938 -0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0464 -3.2138 -2.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8763 -2.0372 -2.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9341 -0.6888 -0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3681 5.1010 0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 3.4399 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 2.9336 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8867 3.1412 -1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 2.6804 0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6659 1.6131 -2.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 2.7307 -3.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2784 4.7360 1.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2449 5.2057 -1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4272 4.3397 2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3528 -1.9498 -1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6453 -1.2729 3.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1211 -2.8388 3.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1271 -3.2703 1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0318 -3.5833 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 -3.7993 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8746 -1.5453 0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8520 0.1910 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5678 -0.9236 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2725 -0.0581 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0189 -0.1244 -2.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3323 1.0828 -1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1487 -3.9228 1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3636 -0.1182 2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3473 -4.1535 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5497 -0.3512 1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0504 -2.4083 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.8472 -2.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8829 -0.6417 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 -4.2394 -2.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9195 -3.2420 -4.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0219 -2.7586 -2.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 -2.5304 -2.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 -1.2965 -2.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6498 -2.8117 -1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7566 -1.4017 -0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2494 0.0887 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7707 -0.2263 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 45 1 0 0 0 0 4 13 1 0 0 0 0 4 46 1 0 0 0 0 5 14 1 0 0 0 0 5 47 1 0 0 0 0 6 17 1 0 0 0 0 6 27 1 0 0 0 0 7 27 1 0 0 0 0 7 33 1 0 0 0 0 8 27 2 0 0 0 0 9 32 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 18 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 28 30 1 0 0 0 0 28 60 1 0 0 0 0 29 31 2 0 0 0 0 29 61 1 0 0 0 0 30 32 2 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 63 1 0 0 0 0 33 35 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 M END > DB12935 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UAOCLDQAQNNEAX-ABMICEGHSA-N/SDF?record_type=3d > CCOC(=O)OC[C@H]1O[C@@H](OC2=NN(C(C)C)C(C)=C2CC2=CC=C(OC(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C26H38N2O9/c1-7-33-26(32)34-13-20-21(29)22(30)23(31)25(36-20)37-24-19(16(6)28(27-24)14(2)3)12-17-8-10-18(11-9-17)35-15(4)5/h8-11,14-15,20-23,25,29-31H,7,12-13H2,1-6H3/t20-,21-,22+,23-,25+/m1/s1 > UAOCLDQAQNNEAX-ABMICEGHSA-N > C26H38N2O9 > 522.595 > 522.257730812 > 9 > 75 > 55.02633837726089 > 0 > 3 > 0 > 0 > ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-methyl-1-(propan-2-yl)-4-{[4-(propan-2-yloxy)phenyl]methyl}-1H-pyrazol-3-yl]oxy}oxan-2-yl]methyl carbonate > 3.33 > 3.5216045326666654 > -3.44 > 1 > 3 > 0 > 13.209709787583574 > 12.199339537532708 > 1.4936746085609018 > 141.73000000000002 > 144.6088000000001 > 12 > 0 > 1.89e-01 g/l > remogliflozin etabonate > 0 $$$$