@MOLECULE 4-{(1s,3ar,4s,6ar)-4-[4-(beta-d-glucopyranosyloxy)-3-methoxyphenyl]tetrahydro-1h,3h-furo[3,4-c]furan-1-yl}-2-methoxyphenyl beta-d-glucopyranoside 90 95 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2221 0.3159 1.4429 O.3 1 UNL11 -0.4115 2 O -0.9863 -2.6637 0.1857 O.3 1 UNL11 -0.3998 3 O 6.5755 0.1267 -1.8051 O.3 1 UNL11 -0.3353 4 O -7.1592 -1.5778 0.1605 O.3 1 UNL11 -0.3309 5 O 7.4538 0.0499 0.2604 O.3 1 UNL11 -0.4586 6 O -7.1594 0.5998 -0.3754 O.3 1 UNL11 -0.4528 7 O 5.4872 2.0742 -0.3832 O.3 1 UNL11 -0.2615 8 O -6.1109 -0.0608 2.0625 O.3 1 UNL11 -0.2538 9 O 9.2109 -0.8158 -2.7236 O.3 1 UNL11 -0.5369 10 O -9.6508 -1.7336 -1.4265 O.3 1 UNL11 -0.5473 11 O 11.0768 1.1010 -1.2760 O.3 1 UNL11 -0.5553 12 O -11.1914 0.4450 -0.0944 O.3 1 UNL11 -0.5568 13 O 10.7703 0.3813 1.5609 O.3 1 UNL11 -0.5450 14 O -9.8809 2.9574 -0.8726 O.3 1 UNL11 -0.5420 15 O 6.9617 -0.5595 2.9355 O.3 1 UNL11 -0.5368 16 O -5.6307 2.8227 -0.9626 O.3 1 UNL11 -0.5411 17 C 0.3393 -0.8049 -0.4620 C.3 1 UNL11 -0.1866 18 C -0.8479 -0.2669 0.3737 C.3 1 UNL11 -0.1894 19 C 1.5131 -0.7511 0.5403 C.3 1 UNL11 0.0979 20 C -1.5575 -1.5501 0.8673 C.3 1 UNL11 0.0950 21 C -0.1838 0.5452 1.4897 C.3 1 UNL11 -0.0451 22 C -0.0850 -2.2256 -0.8247 C.3 1 UNL11 -0.0494 23 C 2.8399 -0.4790 -0.1034 C.ar 1 UNL11 0.0096 24 C -3.0404 -1.5183 0.6219 C.ar 1 UNL11 0.0009 25 C 3.4804 0.7465 0.0768 C.ar 1 UNL11 -0.2760 26 C -3.8340 -0.7510 1.4826 C.ar 1 UNL11 -0.3167 27 C 3.4332 -1.4941 -0.8549 C.ar 1 UNL11 -0.2244 28 C -3.6106 -2.2568 -0.4083 C.ar 1 UNL11 -0.1868 29 C 4.7439 0.9451 -0.4776 C.ar 1 UNL11 0.1974 30 C -5.2144 -0.7402 1.3069 C.ar 1 UNL11 0.2030 31 C 4.6933 -1.2999 -1.4176 C.ar 1 UNL11 -0.1409 32 C -4.9947 -2.2425 -0.5961 C.ar 1 UNL11 -0.1493 33 C 5.3492 -0.0929 -1.2165 C.ar 1 UNL11 0.1013 34 C -5.7890 -1.4943 0.2592 C.ar 1 UNL11 0.1013 35 C 7.6395 -0.4382 -1.0549 C.3 1 UNL11 0.2946 36 C -7.7110 -0.6485 -0.7559 C.3 1 UNL11 0.2870 37 C 8.9109 0.1341 -1.7203 C.3 1 UNL11 0.0322 38 C -9.2314 -0.7471 -0.5053 C.3 1 UNL11 0.0655 39 C 10.1101 0.2159 -0.7595 C.3 1 UNL11 0.0353 40 C -9.9907 0.5521 -0.8342 C.3 1 UNL11 0.0460 41 C 9.7199 0.6559 0.6604 C.3 1 UNL11 0.0463 42 C -9.2205 1.8093 -0.4029 C.3 1 UNL11 0.0389 43 C 8.5289 -0.1907 1.1466 C.3 1 UNL11 0.0529 44 C -7.7790 1.7392 -0.9312 C.3 1 UNL11 0.0188 45 C 7.9937 0.2964 2.5019 C.3 1 UNL11 -0.0106 46 C -6.9193 2.8973 -0.3956 C.3 1 UNL11 -0.0107 47 C 4.9463 3.1247 0.4097 C.3 1 UNL11 -0.2190 48 C -5.5910 0.6432 3.1843 C.3 1 UNL11 -0.2230 49 H 0.5483 -0.1848 -1.3536 H 1 UNL11 0.1630 50 H -1.5335 0.3571 -0.2316 H 1 UNL11 0.1619 51 H 1.5582 -1.6747 1.1679 H 1 UNL11 0.1505 52 H -1.3403 -1.7739 1.9391 H 1 UNL11 0.1497 53 H -0.5118 0.2631 2.5032 H 1 UNL11 0.1301 54 H -0.2952 1.6347 1.3541 H 1 UNL11 0.1354 55 H 0.7292 -2.9680 -0.8091 H 1 UNL11 0.1416 56 H -0.6146 -2.2743 -1.7919 H 1 UNL11 0.1292 57 H 2.9902 1.5248 0.6597 H 1 UNL11 0.1851 58 H -3.3686 -0.1832 2.2808 H 1 UNL11 0.1649 59 H 2.9245 -2.4442 -0.9952 H 1 UNL11 0.1584 60 H -2.9810 -2.8644 -1.0580 H 1 UNL11 0.1742 61 H 5.1696 -2.0831 -2.0061 H 1 UNL11 0.1691 62 H -5.4553 -2.8253 -1.3932 H 1 UNL11 0.1711 63 H 7.5823 -1.5456 -1.0619 H 1 UNL11 0.1408 64 H -7.4020 -0.8899 -1.7934 H 1 UNL11 0.1394 65 H 8.6920 1.1163 -2.1989 H 1 UNL11 0.1545 66 H -9.4443 -1.0823 0.5387 H 1 UNL11 0.1723 67 H 10.6685 -0.7546 -0.7391 H 1 UNL11 0.1790 68 H -10.2662 0.5860 -1.9139 H 1 UNL11 0.1431 69 H 9.4970 1.7442 0.7080 H 1 UNL11 0.1384 70 H -9.2511 1.9423 0.7052 H 1 UNL11 0.1768 71 H 8.7709 -1.2751 1.1793 H 1 UNL11 0.1526 72 H -7.7328 1.6875 -2.0404 H 1 UNL11 0.1392 73 H 7.6128 1.3315 2.4470 H 1 UNL11 0.1273 74 H 8.7676 0.2119 3.2897 H 1 UNL11 0.1618 75 H -6.8345 2.8655 0.7060 H 1 UNL11 0.1329 76 H -7.3075 3.8801 -0.7198 H 1 UNL11 0.1542 77 H 10.0022 -0.5302 -3.2303 H 1 UNL11 0.3285 78 H -10.5644 -2.0243 -1.2122 H 1 UNL11 0.3341 79 H 10.7203 2.0072 -1.3797 H 1 UNL11 0.3194 80 H -11.6302 1.3218 -0.0331 H 1 UNL11 0.3341 81 H 11.6290 0.6581 1.1682 H 1 UNL11 0.3332 82 H -9.8636 3.0143 -1.8505 H 1 UNL11 0.3174 83 H 4.8106 2.8056 1.4479 H 1 UNL11 0.1381 84 H 5.7324 3.8883 0.3409 H 1 UNL11 0.1526 85 H 4.0106 3.4982 -0.0174 H 1 UNL11 0.1352 86 H -6.5039 1.0548 3.6359 H 1 UNL11 0.1531 87 H -4.9246 1.4505 2.8670 H 1 UNL11 0.1334 88 H -5.0947 -0.0369 3.8837 H 1 UNL11 0.1379 89 H 6.2375 -0.5633 2.2702 H 1 UNL11 0.3268 90 H -5.2396 1.9427 -0.7585 H 1 UNL11 0.3292 @BOND 1 1 19 1 2 1 21 1 3 2 20 1 4 2 22 1 5 3 33 1 6 3 35 1 7 4 34 1 8 4 36 1 9 5 35 1 10 5 43 1 11 6 36 1 12 6 44 1 13 7 29 1 14 7 47 1 15 8 30 1 16 8 48 1 17 9 37 1 18 9 77 1 19 10 38 1 20 10 78 1 21 11 39 1 22 11 79 1 23 12 40 1 24 12 80 1 25 13 41 1 26 13 81 1 27 14 42 1 28 14 82 1 29 15 45 1 30 15 89 1 31 16 46 1 32 16 90 1 33 17 18 1 34 17 22 1 35 17 49 1 36 18 20 1 37 18 21 1 38 18 50 1 39 19 17 1 40 19 23 1 41 19 51 1 42 20 24 1 43 20 52 1 44 21 53 1 45 21 54 1 46 22 55 1 47 22 56 1 48 23 25 ar 49 23 27 ar 50 24 26 ar 51 24 28 ar 52 25 29 ar 53 25 57 1 54 26 30 ar 55 26 58 1 56 27 31 ar 57 27 59 1 58 28 32 ar 59 28 60 1 60 29 33 ar 61 30 34 ar 62 31 33 ar 63 31 61 1 64 32 34 ar 65 32 62 1 66 35 37 1 67 35 63 1 68 36 38 1 69 36 64 1 70 37 39 1 71 37 65 1 72 38 40 1 73 38 66 1 74 39 41 1 75 39 67 1 76 40 42 1 77 40 68 1 78 41 43 1 79 41 69 1 80 42 44 1 81 42 70 1 82 43 45 1 83 43 71 1 84 44 46 1 85 44 72 1 86 45 73 1 87 45 74 1 88 46 75 1 89 46 76 1 90 47 83 1 91 47 84 1 92 47 85 1 93 48 86 1 94 48 87 1 95 48 88 1