@MOLECULE [(2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]oxy}tetrahydro-2-furanyl]methyl decanoate 74 75 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1927 -0.6334 -0.6380 O.2 1 UNL1111111111 -0.5628 2 C 2.3589 -0.2988 0.5090 C.2 1 UNL1111111111 0.6355 3 C 3.6558 -0.1128 1.2342 C.3 1 UNL1111111111 -0.3498 4 C 4.7827 0.1738 0.2376 C.3 1 UNL1111111111 -0.2563 5 C 6.1323 0.2552 0.9593 C.3 1 UNL1111111111 -0.2716 6 C 7.2669 0.4945 -0.0457 C.3 1 UNL1111111111 -0.2694 7 C 8.6252 0.5100 0.6671 C.3 1 UNL1111111111 -0.2746 8 C 9.7697 0.6743 -0.3413 C.3 1 UNL1111111111 -0.2747 9 C 11.1270 0.6467 0.3730 C.3 1 UNL1111111111 -0.2727 10 C 12.2790 0.7101 -0.6388 C.3 1 UNL1111111111 -0.2507 11 C 13.6314 0.6368 0.0703 C.3 1 UNL1111111111 -0.4396 12 O 1.3319 -0.0522 1.3558 O.3 1 UNL1111111111 -0.4262 13 C 0.0026 -0.0794 0.8455 C.3 1 UNL1111111111 -0.0477 14 C -0.3458 -1.4467 0.2606 C.3 1 UNL1111111111 0.0127 15 O -1.5651 -1.8886 0.8647 O.3 1 UNL1111111111 -0.3529 16 C -0.5764 -1.4338 -1.2714 C.3 1 UNL1111111111 0.0719 17 O 0.2560 -2.3636 -1.9154 O.3 1 UNL1111111111 -0.5633 18 C -2.0186 -1.9578 -1.4358 C.3 1 UNL1111111111 0.0418 19 O -2.7385 -1.2116 -2.3896 O.3 1 UNL1111111111 -0.5777 20 C -2.6393 -1.6978 -0.0257 C.3 1 UNL1111111111 0.3620 21 C -3.7641 -2.6460 0.4062 C.3 1 UNL1111111111 -0.0502 22 O -4.3840 -2.2309 1.5916 O.3 1 UNL1111111111 -0.5337 23 O -2.9350 -0.3180 0.0873 O.3 1 UNL1111111111 -0.4497 24 C -4.1551 0.1552 -0.4085 C.3 1 UNL1111111111 0.3094 25 O -4.9886 0.2445 0.7375 O.3 1 UNL1111111111 -0.5596 26 C -6.2407 0.9052 0.5041 C.3 1 UNL1111111111 0.2745 27 O -6.8932 0.9044 1.7330 O.3 1 UNL1111111111 -0.3496 28 C -7.4022 -0.3657 2.1176 C.3 1 UNL1111111111 -0.2038 29 C -5.9095 2.3823 0.1935 C.3 1 UNL1111111111 0.0709 30 O -5.1233 2.9558 1.2045 O.3 1 UNL1111111111 -0.5269 31 C -5.0835 2.4098 -1.1147 C.3 1 UNL1111111111 0.0758 32 O -5.9263 1.8293 -2.0894 O.3 1 UNL1111111111 -0.5712 33 C -3.8082 1.5624 -0.9517 C.3 1 UNL1111111111 0.0433 34 O -3.2586 1.4294 -2.2455 O.3 1 UNL1111111111 -0.5815 35 H 3.8765 -1.0301 1.8244 H 1 UNL1111111111 0.1811 36 H 3.5751 0.7029 1.9852 H 1 UNL1111111111 0.1819 37 H 4.5817 1.1165 -0.3078 H 1 UNL1111111111 0.1477 38 H 4.8105 -0.6156 -0.5419 H 1 UNL1111111111 0.1580 39 H 6.3210 -0.6786 1.5223 H 1 UNL1111111111 0.1387 40 H 6.1171 1.0664 1.7112 H 1 UNL1111111111 0.1386 41 H 7.1080 1.4496 -0.5801 H 1 UNL1111111111 0.1384 42 H 7.2579 -0.2930 -0.8230 H 1 UNL1111111111 0.1395 43 H 8.7621 -0.4261 1.2406 H 1 UNL1111111111 0.1367 44 H 8.6555 1.3277 1.4108 H 1 UNL1111111111 0.1364 45 H 9.6534 1.6219 -0.8992 H 1 UNL1111111111 0.1370 46 H 9.7247 -0.1310 -1.0985 H 1 UNL1111111111 0.1375 47 H 11.2151 -0.2706 0.9846 H 1 UNL1111111111 0.1368 48 H 11.2007 1.4914 1.0825 H 1 UNL1111111111 0.1364 49 H 12.2118 1.6420 -1.2312 H 1 UNL1111111111 0.1339 50 H 12.1898 -0.1189 -1.3662 H 1 UNL1111111111 0.1340 51 H 14.4584 0.6850 -0.6467 H 1 UNL1111111111 0.1409 52 H 13.7594 1.4648 0.7764 H 1 UNL1111111111 0.1425 53 H 13.7384 -0.2969 0.6337 H 1 UNL1111111111 0.1424 54 H -0.5979 0.1284 1.7602 H 1 UNL1111111111 0.1837 55 H -0.1173 0.7534 0.1323 H 1 UNL1111111111 0.1445 56 H 0.3912 -2.2258 0.5612 H 1 UNL1111111111 0.1728 57 H -0.4290 -0.4350 -1.7326 H 1 UNL1111111111 0.1503 58 H 1.1965 -2.0690 -1.8362 H 1 UNL1111111111 0.3530 59 H -2.0435 -3.0314 -1.7185 H 1 UNL1111111111 0.1599 60 H -2.3906 -1.4000 -3.2921 H 1 UNL1111111111 0.3470 61 H -4.5269 -2.7469 -0.3890 H 1 UNL1111111111 0.1285 62 H -3.3550 -3.6460 0.6633 H 1 UNL1111111111 0.1662 63 H -4.6082 -1.2682 1.5334 H 1 UNL1111111111 0.3485 64 H -4.6265 -0.5174 -1.1540 H 1 UNL1111111111 0.1375 65 H -6.7985 0.3738 -0.2916 H 1 UNL1111111111 0.1353 66 H -6.5973 -1.1038 2.2137 H 1 UNL1111111111 0.1465 67 H -7.8416 -0.1574 3.1025 H 1 UNL1111111111 0.1526 68 H -8.1684 -0.7063 1.4160 H 1 UNL1111111111 0.1239 69 H -6.8189 3.0169 0.1339 H 1 UNL1111111111 0.1715 70 H -4.6334 2.2447 1.6882 H 1 UNL1111111111 0.3412 71 H -4.8412 3.4480 -1.4281 H 1 UNL1111111111 0.1541 72 H -5.3897 1.6146 -2.8886 H 1 UNL1111111111 0.3455 73 H -3.0515 2.0737 -0.3147 H 1 UNL1111111111 0.1647 74 H -2.8690 0.5293 -2.3522 H 1 UNL1111111111 0.3528 @BOND 1 1 2 2 2 2 3 1 3 2 12 1 4 3 4 1 5 3 35 1 6 3 36 1 7 4 5 1 8 4 37 1 9 4 38 1 10 5 6 1 11 5 39 1 12 5 40 1 13 6 7 1 14 6 41 1 15 6 42 1 16 7 8 1 17 7 43 1 18 7 44 1 19 8 9 1 20 8 45 1 21 8 46 1 22 9 10 1 23 9 47 1 24 9 48 1 25 10 11 1 26 10 49 1 27 10 50 1 28 11 51 1 29 11 52 1 30 11 53 1 31 12 13 1 32 13 14 1 33 13 54 1 34 13 55 1 35 14 15 1 36 14 16 1 37 14 56 1 38 15 20 1 39 16 17 1 40 16 18 1 41 16 57 1 42 17 58 1 43 18 19 1 44 18 20 1 45 18 59 1 46 19 60 1 47 20 21 1 48 20 23 1 49 21 22 1 50 21 61 1 51 21 62 1 52 22 63 1 53 23 24 1 54 24 25 1 55 24 33 1 56 24 64 1 57 25 26 1 58 26 27 1 59 26 29 1 60 26 65 1 61 27 28 1 62 28 66 1 63 28 67 1 64 28 68 1 65 29 30 1 66 29 31 1 67 29 69 1 68 30 70 1 69 31 32 1 70 31 33 1 71 31 71 1 72 32 72 1 73 33 34 1 74 33 73 1 75 34 74 1