@MOLECULE (2s)-1-(alpha-d-glucopyranosyloxy)-3-(palmitoyloxy)-2-propanyl (11z)-11-octadecenoate 133 133 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.2263 4.1318 -1.2136 C.3 1 UNL1111111111 0.2560 2 O -1.7304 3.8268 0.0665 O.3 1 UNL1111111111 -0.4251 3 C -3.0562 2.8803 -1.5914 C.3 1 UNL1111111111 0.0346 4 O -3.9428 2.5451 -0.5556 O.3 1 UNL1111111111 -0.5542 5 C -2.1365 1.6817 -1.8750 C.3 1 UNL1111111111 0.0480 6 O -2.8509 0.6722 -2.5592 O.3 1 UNL1111111111 -0.5674 7 C -0.9900 2.0714 -2.8267 C.3 1 UNL1111111111 0.0827 8 O -0.0336 1.0348 -2.8639 O.3 1 UNL1111111111 -0.5454 9 C -0.2469 3.2838 -2.2310 C.3 1 UNL1111111111 0.0388 10 O -1.1800 4.3533 -2.1174 O.3 1 UNL1111111111 -0.4471 11 C 0.8581 3.8231 -3.1464 C.3 1 UNL1111111111 -0.0104 12 O 2.0421 4.0538 -2.4216 O.3 1 UNL1111111111 -0.5594 13 C -1.1730 4.9408 0.7484 C.3 1 UNL1111111111 -0.0769 14 O -2.0614 2.6456 2.4031 O.3 1 UNL1111111111 -0.4184 15 C -0.4169 4.3668 1.9536 C.3 1 UNL1111111111 0.0727 16 O 0.4641 3.3244 1.5441 O.3 1 UNL1111111111 -0.3993 17 C -1.3194 3.6965 3.0004 C.3 1 UNL1111111111 -0.0446 18 O 1.7631 4.8232 0.5012 O.2 1 UNL1111111111 -0.5573 19 C -1.5652 1.3809 2.5307 C.2 1 UNL1111111111 0.6112 20 O -0.6260 1.1133 3.2299 O.2 1 UNL1111111111 -0.4916 21 C -2.3889 0.4400 1.7046 C.3 1 UNL1111111111 -0.3573 22 C -3.8605 0.4832 2.1282 C.3 1 UNL1111111111 -0.2571 23 C -4.7347 -0.2591 1.1098 C.3 1 UNL1111111111 -0.2681 24 C -6.1810 -0.3427 1.6126 C.3 1 UNL1111111111 -0.2694 25 C -7.0675 -1.0812 0.6021 C.3 1 UNL1111111111 -0.2728 26 C -8.4962 -1.2187 1.1434 C.3 1 UNL1111111111 -0.2731 27 C -9.3795 -2.0002 0.1634 C.3 1 UNL1111111111 -0.2733 28 C -10.7876 -2.1905 0.7415 C.3 1 UNL1111111111 -0.2729 29 C -11.6684 -2.9863 -0.2296 C.3 1 UNL1111111111 -0.2727 30 C -13.0426 -3.2684 0.3907 C.3 1 UNL1111111111 -0.2717 31 C -13.9283 -4.0479 -0.5897 C.3 1 UNL1111111111 -0.2722 32 C -15.2558 -4.4396 0.0713 C.3 1 UNL1111111111 -0.2747 33 C -16.1598 -5.1771 -0.9247 C.3 1 UNL1111111111 -0.2722 34 C -17.4621 -5.6259 -0.2484 C.3 1 UNL1111111111 -0.2511 35 C -18.3802 -6.3311 -1.2469 C.3 1 UNL1111111111 -0.4398 36 C 1.5369 3.6717 0.7885 C.2 1 UNL1111111111 0.6210 37 C 2.3069 2.4504 0.4071 C.3 1 UNL1111111111 -0.3591 38 C 3.7626 2.5960 0.8655 C.3 1 UNL1111111111 -0.2483 39 C 4.6111 1.4594 0.2831 C.3 1 UNL1111111111 -0.2659 40 C 6.0810 1.6163 0.6920 C.3 1 UNL1111111111 -0.2707 41 C 6.9446 0.5473 0.0100 C.3 1 UNL1111111111 -0.2748 42 C 8.4249 0.7381 0.3625 C.3 1 UNL1111111111 -0.2733 43 C 9.3010 -0.2549 -0.4123 C.3 1 UNL1111111111 -0.2737 44 C 10.7842 -0.0050 -0.1159 C.3 1 UNL1111111111 -0.2637 45 C 11.6759 -0.9424 -0.9460 C.3 1 UNL1111111111 -0.2774 46 C 13.1127 -0.6174 -0.6989 C.2 1 UNL1111111111 -0.1681 47 C 14.0034 -1.4060 -0.0908 C.2 1 UNL1111111111 -0.1657 48 C 13.7349 -2.7666 0.4634 C.3 1 UNL1111111111 -0.2766 49 C 14.7283 -3.7816 -0.1247 C.3 1 UNL1111111111 -0.2648 50 C 14.4529 -5.1900 0.4149 C.3 1 UNL1111111111 -0.2748 51 C 15.4667 -6.1924 -0.1520 C.3 1 UNL1111111111 -0.2713 52 C 15.1648 -7.6122 0.3461 C.3 1 UNL1111111111 -0.2513 53 C 16.1808 -8.6126 -0.2055 C.3 1 UNL1111111111 -0.4401 54 H -2.7960 5.0828 -1.2416 H 1 UNL1111111111 0.1437 55 H -3.7268 3.0917 -2.4562 H 1 UNL1111111111 0.1681 56 H -3.4855 2.6058 0.3239 H 1 UNL1111111111 0.3507 57 H -1.7392 1.2374 -0.9315 H 1 UNL1111111111 0.1447 58 H -3.7239 0.5307 -2.1309 H 1 UNL1111111111 0.3363 59 H -1.3590 2.2555 -3.8579 H 1 UNL1111111111 0.1452 60 H -0.4827 0.1833 -3.0689 H 1 UNL1111111111 0.3356 61 H 0.1564 3.0332 -1.2234 H 1 UNL1111111111 0.1577 62 H 1.1760 3.0678 -3.8945 H 1 UNL1111111111 0.1642 63 H 0.5475 4.7556 -3.6541 H 1 UNL1111111111 0.1355 64 H 1.9003 4.6768 -1.6744 H 1 UNL1111111111 0.3360 65 H -0.4858 5.4887 0.0716 H 1 UNL1111111111 0.1604 66 H -1.9933 5.6085 1.0666 H 1 UNL1111111111 0.1287 67 H 0.1878 5.1793 2.4297 H 1 UNL1111111111 0.1514 68 H -2.1027 4.3876 3.3630 H 1 UNL1111111111 0.1451 69 H -0.7216 3.3214 3.8564 H 1 UNL1111111111 0.1635 70 H -2.2827 0.7011 0.6271 H 1 UNL1111111111 0.1749 71 H -1.9833 -0.5903 1.8069 H 1 UNL1111111111 0.1817 72 H -3.9769 0.0352 3.1347 H 1 UNL1111111111 0.1476 73 H -4.2102 1.5312 2.2256 H 1 UNL1111111111 0.1501 74 H -4.7069 0.2664 0.1345 H 1 UNL1111111111 0.1447 75 H -4.3370 -1.2745 0.9273 H 1 UNL1111111111 0.1389 76 H -6.2136 -0.8581 2.5909 H 1 UNL1111111111 0.1369 77 H -6.5796 0.6742 1.7904 H 1 UNL1111111111 0.1389 78 H -7.0776 -0.5390 -0.3616 H 1 UNL1111111111 0.1371 79 H -6.6473 -2.0810 0.3860 H 1 UNL1111111111 0.1362 80 H -8.4805 -1.7284 2.1251 H 1 UNL1111111111 0.1359 81 H -8.9291 -0.2180 1.3275 H 1 UNL1111111111 0.1368 82 H -9.4340 -1.4702 -0.8054 H 1 UNL1111111111 0.1369 83 H -8.9247 -2.9847 -0.0540 H 1 UNL1111111111 0.1365 84 H -10.7280 -2.7136 1.7144 H 1 UNL1111111111 0.1365 85 H -11.2483 -1.2079 0.9535 H 1 UNL1111111111 0.1362 86 H -11.7857 -2.4301 -1.1779 H 1 UNL1111111111 0.1364 87 H -11.1728 -3.9387 -0.4957 H 1 UNL1111111111 0.1367 88 H -12.9221 -3.8398 1.3301 H 1 UNL1111111111 0.1365 89 H -13.5351 -2.3197 0.6737 H 1 UNL1111111111 0.1361 90 H -14.1183 -3.4393 -1.4933 H 1 UNL1111111111 0.1363 91 H -13.4004 -4.9546 -0.9400 H 1 UNL1111111111 0.1366 92 H -15.0638 -5.0780 0.9537 H 1 UNL1111111111 0.1363 93 H -15.7706 -3.5387 0.4534 H 1 UNL1111111111 0.1362 94 H -16.3870 -4.5227 -1.7865 H 1 UNL1111111111 0.1364 95 H -15.6306 -6.0542 -1.3413 H 1 UNL1111111111 0.1365 96 H -17.2350 -6.3009 0.5983 H 1 UNL1111111111 0.1335 97 H -17.9808 -4.7532 0.1911 H 1 UNL1111111111 0.1335 98 H -18.6569 -5.6680 -2.0741 H 1 UNL1111111111 0.1422 99 H -17.8973 -7.2142 -1.6799 H 1 UNL1111111111 0.1423 100 H -19.3070 -6.6644 -0.7675 H 1 UNL1111111111 0.1400 101 H 1.8512 1.5287 0.8289 H 1 UNL1111111111 0.1846 102 H 2.2657 2.3311 -0.7059 H 1 UNL1111111111 0.2059 103 H 4.1659 3.5769 0.5386 H 1 UNL1111111111 0.1558 104 H 3.8199 2.5912 1.9705 H 1 UNL1111111111 0.1431 105 H 4.2248 0.4802 0.6224 H 1 UNL1111111111 0.1388 106 H 4.5261 1.4548 -0.8217 H 1 UNL1111111111 0.1459 107 H 6.4448 2.6248 0.4178 H 1 UNL1111111111 0.1391 108 H 6.1826 1.5449 1.7905 H 1 UNL1111111111 0.1355 109 H 6.6098 -0.4622 0.3111 H 1 UNL1111111111 0.1350 110 H 6.8083 0.5979 -1.0872 H 1 UNL1111111111 0.1387 111 H 8.7374 1.7745 0.1332 H 1 UNL1111111111 0.1376 112 H 8.5767 0.6108 1.4502 H 1 UNL1111111111 0.1359 113 H 9.0275 -1.2922 -0.1454 H 1 UNL1111111111 0.1360 114 H 9.1104 -0.1599 -1.4980 H 1 UNL1111111111 0.1374 115 H 11.0418 1.0489 -0.3325 H 1 UNL1111111111 0.1379 116 H 10.9889 -0.1516 0.9612 H 1 UNL1111111111 0.1399 117 H 11.4396 -1.9980 -0.7075 H 1 UNL1111111111 0.1435 118 H 11.4472 -0.8293 -2.0260 H 1 UNL1111111111 0.1448 119 H 13.4080 0.3683 -1.0632 H 1 UNL1111111111 0.1403 120 H 15.0344 -1.0724 0.0415 H 1 UNL1111111111 0.1404 121 H 13.8257 -2.7407 1.5696 H 1 UNL1111111111 0.1462 122 H 12.6965 -3.0983 0.2639 H 1 UNL1111111111 0.1448 123 H 14.6558 -3.7763 -1.2288 H 1 UNL1111111111 0.1407 124 H 15.7651 -3.4794 0.1128 H 1 UNL1111111111 0.1366 125 H 14.4986 -5.1895 1.5199 H 1 UNL1111111111 0.1363 126 H 13.4245 -5.5015 0.1531 H 1 UNL1111111111 0.1367 127 H 15.4471 -6.1689 -1.2575 H 1 UNL1111111111 0.1370 128 H 16.4928 -5.9002 0.1389 H 1 UNL1111111111 0.1362 129 H 15.1743 -7.6349 1.4522 H 1 UNL1111111111 0.1333 130 H 14.1420 -7.9080 0.0453 H 1 UNL1111111111 0.1336 131 H 15.9655 -9.6298 0.1401 H 1 UNL1111111111 0.1398 132 H 16.1725 -8.6284 -1.3010 H 1 UNL1111111111 0.1425 133 H 17.1996 -8.3652 0.1129 H 1 UNL1111111111 0.1421 @BOND 1 1 3 1 2 1 54 1 3 2 1 1 4 3 5 1 5 3 4 1 6 3 55 1 7 4 56 1 8 5 6 1 9 5 57 1 10 6 58 1 11 7 5 1 12 7 8 1 13 7 59 1 14 8 60 1 15 9 7 1 16 9 61 1 17 10 1 1 18 10 9 1 19 11 9 1 20 11 62 1 21 11 63 1 22 12 11 1 23 12 64 1 24 13 2 1 25 13 65 1 26 13 66 1 27 14 17 1 28 15 13 1 29 15 67 1 30 16 15 1 31 17 15 1 32 17 68 1 33 17 69 1 34 19 14 1 35 19 20 2 36 21 19 1 37 21 70 1 38 21 71 1 39 22 21 1 40 22 72 1 41 22 73 1 42 23 22 1 43 23 74 1 44 23 75 1 45 24 23 1 46 24 25 1 47 24 76 1 48 24 77 1 49 25 78 1 50 25 79 1 51 26 25 1 52 26 27 1 53 26 80 1 54 26 81 1 55 27 28 1 56 27 82 1 57 27 83 1 58 28 84 1 59 28 85 1 60 29 28 1 61 29 30 1 62 29 86 1 63 29 87 1 64 30 31 1 65 30 88 1 66 30 89 1 67 31 32 1 68 31 90 1 69 31 91 1 70 32 33 1 71 32 92 1 72 32 93 1 73 33 34 1 74 33 94 1 75 33 95 1 76 34 35 1 77 34 96 1 78 34 97 1 79 35 98 1 80 35 99 1 81 35 100 1 82 36 16 1 83 36 18 2 84 37 36 1 85 37 101 1 86 37 102 1 87 38 37 1 88 38 103 1 89 38 104 1 90 39 38 1 91 39 105 1 92 39 106 1 93 40 39 1 94 40 107 1 95 40 108 1 96 41 40 1 97 41 109 1 98 41 110 1 99 42 41 1 100 42 111 1 101 42 112 1 102 43 42 1 103 43 113 1 104 43 114 1 105 44 43 1 106 44 115 1 107 44 116 1 108 45 44 1 109 45 117 1 110 45 118 1 111 46 45 1 112 46 119 1 113 47 46 2 114 47 48 1 115 47 120 1 116 48 121 1 117 48 122 1 118 49 48 1 119 49 50 1 120 49 123 1 121 49 124 1 122 50 125 1 123 50 126 1 124 51 50 1 125 51 52 1 126 51 127 1 127 51 128 1 128 52 53 1 129 52 129 1 130 52 130 1 131 53 131 1 132 53 132 1 133 53 133 1