@MOLECULE (2s,4ar,6ar,10s,10as,10bs)-2-(3-furyl)-6a-[(beta-d-glucopyranosyloxy)methyl]-10b-methyl-4,7-dioxododecahydro-2h-benzo[f]isochromen-10-yl acetate 75 79 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4202 1.3937 -1.3230 O.3 1 UNL11 -0.4329 2 O -1.1971 -2.1778 0.0975 O.3 1 UNL11 -0.4771 3 O 2.2667 0.9616 0.0199 O.3 1 UNL11 -0.3703 4 O 1.0413 1.5751 2.9878 O.2 1 UNL11 -0.4542 5 O -2.3828 3.2809 -1.3833 O.2 1 UNL11 -0.4583 6 O 3.7263 -0.7281 -0.2656 O.3 1 UNL11 -0.4749 7 O -7.1876 -1.0350 -1.7046 O.2 1 UNL11 -0.1666 8 O 4.1356 2.8077 -1.1807 O.3 1 UNL11 -0.5303 9 O -2.3379 -3.8372 1.0897 O.2 1 UNL11 -0.5174 10 O 6.8291 1.8517 -0.7099 O.3 1 UNL11 -0.5584 11 O 7.1083 -0.9208 -1.4464 O.3 1 UNL11 -0.5523 12 O 4.0281 -3.5276 -0.5920 O.3 1 UNL11 -0.5385 13 C -1.2434 0.0502 0.7664 C.3 1 UNL11 -0.1842 14 C -2.4628 0.8338 1.3277 C.3 1 UNL11 0.0960 15 C 0.1120 0.7656 0.9396 C.3 1 UNL11 -0.0661 16 C -2.4587 2.2852 0.8065 C.3 1 UNL11 -0.2319 17 C 0.0446 2.2444 0.5207 C.3 1 UNL11 -0.2705 18 C -1.2322 -1.3951 1.3072 C.3 1 UNL11 0.1361 19 C -1.1375 2.9893 1.1304 C.3 1 UNL11 -0.2602 20 C -3.7831 0.2120 0.8248 C.3 1 UNL11 -0.3708 21 C 0.5987 0.6368 2.3753 C.2 1 UNL11 0.4787 22 C -2.4976 0.8491 2.8606 C.3 1 UNL11 -0.4720 23 C 1.1395 0.0885 -0.0016 C.3 1 UNL11 -0.0577 24 C -0.0209 -1.8198 2.1422 C.3 1 UNL11 -0.3166 25 C 0.4797 -0.7089 3.0522 C.3 1 UNL11 -0.3799 26 C -3.8430 0.1853 -0.7022 C.3 1 UNL11 0.1575 27 C -2.7198 2.3644 -0.6774 C.2 1 UNL11 0.5964 28 C -5.2313 -0.0484 -1.1722 C.ar 1 UNL11 -0.1408 29 C 3.3192 0.5287 -0.7909 C.3 1 UNL11 0.2564 30 C -1.7926 -3.3977 0.1112 C.2 1 UNL11 0.6415 31 C 4.4324 1.5750 -0.5784 C.3 1 UNL11 0.0342 32 C -6.1126 0.9524 -1.7240 C.ar 1 UNL11 -0.1995 33 C -5.9261 -1.2295 -1.1865 C.ar 1 UNL11 -0.0404 34 C 5.7553 1.0594 -1.1732 C.3 1 UNL11 0.0407 35 C 4.8641 -1.2864 -0.8993 C.3 1 UNL11 0.0482 36 C 6.0745 -0.3601 -0.6673 C.3 1 UNL11 0.0747 37 C -1.6522 -4.0366 -1.2257 C.3 1 UNL11 -0.5120 38 C -7.2774 0.3064 -2.0289 C.ar 1 UNL11 -0.0295 39 C 5.0449 -2.6360 -0.1906 C.3 1 UNL11 -0.0126 40 H -1.3993 -0.0211 -0.3513 H 1 UNL11 0.1786 41 H -3.2933 2.8492 1.3058 H 1 UNL11 0.1740 42 H 0.0086 2.3252 -0.5846 H 1 UNL11 0.1550 43 H 0.9934 2.7499 0.8190 H 1 UNL11 0.1818 44 H -2.1749 -1.6346 1.8539 H 1 UNL11 0.1513 45 H -1.1580 4.0311 0.7445 H 1 UNL11 0.1625 46 H -1.0062 3.0805 2.2274 H 1 UNL11 0.1573 47 H -3.9210 -0.8140 1.2182 H 1 UNL11 0.1652 48 H -4.6420 0.7860 1.2294 H 1 UNL11 0.1685 49 H -1.6124 1.3418 3.2841 H 1 UNL11 0.1650 50 H -2.5449 -0.1596 3.2845 H 1 UNL11 0.1507 51 H -3.3712 1.3944 3.2385 H 1 UNL11 0.1534 52 H 0.7520 0.0145 -1.0335 H 1 UNL11 0.1311 53 H 1.4461 -0.9130 0.3432 H 1 UNL11 0.1441 54 H -0.2877 -2.7156 2.7431 H 1 UNL11 0.1642 55 H 0.7934 -2.1707 1.4734 H 1 UNL11 0.1580 56 H -0.1823 -0.5985 3.9378 H 1 UNL11 0.1751 57 H 1.4710 -0.9784 3.4805 H 1 UNL11 0.1802 58 H -3.1411 -0.5809 -1.1271 H 1 UNL11 0.1468 59 H 2.9991 0.4002 -1.8453 H 1 UNL11 0.1120 60 H 4.5363 1.8393 0.5039 H 1 UNL11 0.1913 61 H -5.8511 1.9824 -1.8658 H 1 UNL11 0.1853 62 H -5.7323 -2.2346 -0.8960 H 1 UNL11 0.1733 63 H 5.7581 1.1075 -2.2851 H 1 UNL11 0.1415 64 H 4.6613 -1.4310 -1.9833 H 1 UNL11 0.1485 65 H 6.3975 -0.3389 0.3975 H 1 UNL11 0.1527 66 H -0.6941 -4.5766 -1.3012 H 1 UNL11 0.1866 67 H -2.4557 -4.7705 -1.3964 H 1 UNL11 0.1848 68 H -1.6748 -3.3034 -2.0475 H 1 UNL11 0.1892 69 H -8.2175 0.5767 -2.4484 H 1 UNL11 0.1735 70 H 3.6005 2.7071 -1.9937 H 1 UNL11 0.3186 71 H 5.0254 -2.5325 0.9091 H 1 UNL11 0.1329 72 H 5.9805 -3.1341 -0.5147 H 1 UNL11 0.1645 73 H 6.5950 2.8056 -0.7828 H 1 UNL11 0.3413 74 H 7.8845 -0.3147 -1.4469 H 1 UNL11 0.3400 75 H 3.1500 -3.1353 -0.4046 H 1 UNL11 0.3165 @BOND 1 1 26 1 2 1 27 1 3 2 18 1 4 2 30 1 5 3 23 1 6 3 29 1 7 4 21 2 8 5 27 2 9 6 29 1 10 6 35 1 11 7 33 ar 12 7 38 ar 13 8 31 1 14 8 70 1 15 9 30 2 16 10 34 1 17 10 73 1 18 11 36 1 19 11 74 1 20 12 39 1 21 12 75 1 22 13 14 1 23 13 40 1 24 14 16 1 25 14 20 1 26 14 22 1 27 15 13 1 28 15 17 1 29 15 21 1 30 15 23 1 31 16 19 1 32 16 27 1 33 16 41 1 34 17 19 1 35 17 42 1 36 17 43 1 37 18 13 1 38 18 24 1 39 18 44 1 40 19 45 1 41 19 46 1 42 20 26 1 43 20 47 1 44 20 48 1 45 21 25 1 46 22 49 1 47 22 50 1 48 22 51 1 49 23 52 1 50 23 53 1 51 24 25 1 52 24 54 1 53 24 55 1 54 25 56 1 55 25 57 1 56 26 28 1 57 26 58 1 58 28 32 ar 59 28 33 ar 60 29 31 1 61 29 59 1 62 30 37 1 63 31 34 1 64 31 60 1 65 32 38 ar 66 32 61 1 67 33 62 1 68 34 36 1 69 34 63 1 70 35 36 1 71 35 39 1 72 35 64 1 73 36 65 1 74 37 66 1 75 37 67 1 76 37 68 1 77 38 69 1 78 39 71 1 79 39 72 1