@MOLECULE (3ar,4s,4ar,6s,7ar,7br,8as,9s,12as,12bs,12cs)-6-(beta-d-glucopyranosyloxy)-11-methoxy-4,7b,9,12a-tetramethyl-12-oxo-3a,4,4a,5,6,7a,7b,8,8a,9,12,12a,12b,12c-tetradecahydro[1,3]benzodioxolo[6,5,4-de]benzo[g]chromen-4-yl acetate 87 92 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.0421 0.0870 -0.0272 C.3 1 UNL1 -0.1629 2 C -1.2952 -0.9621 -0.9044 C.3 1 UNL1 0.0247 3 C -2.3694 1.4337 -0.6859 C.3 1 UNL1 -0.0218 4 C -3.2449 -0.6663 0.5262 C.3 1 UNL1 0.0673 5 C -0.8089 -2.1445 0.0053 C.3 1 UNL1 -0.1921 6 C -0.0701 -0.2906 -1.5775 C.3 1 UNL1 0.1241 7 C -1.0808 2.0168 -1.3326 C.3 1 UNL1 -0.1245 8 C -2.7035 -1.6716 1.5697 C.3 1 UNL1 0.0222 9 C -1.9500 -2.7979 0.8556 C.3 1 UNL1 0.2808 10 C -1.3699 3.3690 -2.0343 C.3 1 UNL1 -0.0789 11 C 1.4226 -1.0244 0.0910 C.3 1 UNL1 0.3409 12 C 3.4413 0.1568 0.4437 C.3 1 UNL1 0.2735 13 C 4.1848 0.7851 1.6420 C.3 1 UNL1 0.0283 14 C 5.4502 -0.4574 -0.6690 C.3 1 UNL1 0.0533 15 C 5.5930 1.2333 1.2216 C.3 1 UNL1 0.0703 16 C 6.3326 0.1158 0.4607 C.3 1 UNL1 0.0711 17 C 6.0677 -1.7327 -1.2610 C.3 1 UNL1 -0.0167 18 C -2.1248 -1.5429 -2.0600 C.3 1 UNL1 -0.4777 19 C -3.5706 1.3606 -1.6234 C.3 1 UNL1 -0.4563 20 C -1.4698 -3.8618 1.8303 C.3 1 UNL1 -0.4996 21 C -0.0553 4.0975 -2.3460 C.3 1 UNL1 -0.4473 22 C -3.8952 5.9034 0.4138 C.3 1 UNL1 -0.2199 23 C -3.9008 -4.8573 -1.4928 C.3 1 UNL1 -0.5166 24 H 2.5654 1.8029 2.1479 H 1 UNL1 0.3418 25 H 5.9364 2.0814 2.9738 H 1 UNL1 0.3393 26 H 8.0093 1.1538 0.4358 H 1 UNL1 0.3365 27 H 4.6401 -2.1352 -2.5584 H 1 UNL1 0.3142 28 O -2.6512 2.2044 1.5994 O.2 1 UNL1 -0.3732 29 O -1.5595 -4.9302 -0.8857 O.2 1 UNL1 -0.5267 30 C 0.3300 -1.6874 0.9279 C.3 1 UNL1 -0.3486 31 C -0.4327 1.0186 -2.2934 C.3 1 UNL1 -0.2973 32 C -4.7072 -0.8630 2.2453 C.3 1 UNL1 0.1774 33 O 3.5281 1.9750 2.0255 O.3 1 UNL1 -0.5578 34 O 6.3883 1.4506 2.3705 O.3 1 UNL1 -0.5652 35 O 7.4508 0.6623 -0.2074 O.3 1 UNL1 -0.5496 36 O 5.6025 -1.9470 -2.5733 O.3 1 UNL1 -0.5349 37 C -2.6540 -4.4377 -0.7867 C.2 1 UNL1 0.6455 38 O -2.9371 -3.3710 -0.0061 O.3 1 UNL1 -0.4504 39 O -3.6863 4.5310 0.7253 O.2 1 UNL1 -0.2595 40 O 2.3267 -0.4711 1.0272 O.3 1 UNL1 -0.4194 41 C -2.6764 2.4527 0.4268 C.2 1 UNL1 0.4224 42 C -2.8604 3.8436 -0.0969 C.2 1 UNL1 0.0828 43 O -4.1835 0.0740 1.2980 O.3 1 UNL1 -0.4141 44 O 0.8966 0.0901 -0.6149 O.3 1 UNL1 -0.4779 45 O -3.8843 -2.0395 2.2682 O.3 1 UNL1 -0.4265 46 O 4.2185 -0.8917 -0.1195 O.3 1 UNL1 -0.4774 47 C -2.2357 4.2696 -1.2020 C.2 1 UNL1 -0.3074 48 H -1.3429 0.3438 0.8224 H 1 UNL1 0.1798 49 H -3.8444 -1.1598 -0.2734 H 1 UNL1 0.1468 50 H -0.4104 -2.9480 -0.6663 H 1 UNL1 0.1758 51 H 0.4150 -0.9996 -2.2889 H 1 UNL1 0.1152 52 H -0.3451 2.2069 -0.5038 H 1 UNL1 0.1659 53 H -2.0373 -1.1855 2.3223 H 1 UNL1 0.1535 54 H -2.3130 -0.8013 -2.8450 H 1 UNL1 0.1521 55 H -1.6144 -2.3927 -2.5287 H 1 UNL1 0.1497 56 H -3.1077 -1.9028 -1.7317 H 1 UNL1 0.1636 57 H -4.4578 0.9806 -1.0950 H 1 UNL1 0.1669 58 H -3.8446 2.3435 -2.0262 H 1 UNL1 0.1544 59 H -3.3821 0.7033 -2.4762 H 1 UNL1 0.1503 60 H -0.0260 -0.9724 1.6970 H 1 UNL1 0.1730 61 H 0.7595 -2.5430 1.4854 H 1 UNL1 0.1689 62 H 0.4934 1.4572 -2.7188 H 1 UNL1 0.1526 63 H -1.0953 0.8108 -3.1527 H 1 UNL1 0.1453 64 H -1.9053 3.1624 -2.9967 H 1 UNL1 0.1422 65 H -4.6612 -0.3691 3.2257 H 1 UNL1 0.1336 66 H -5.7043 -1.1930 1.9253 H 1 UNL1 0.1205 67 H -0.9475 -3.4335 2.6916 H 1 UNL1 0.1625 68 H -2.3290 -4.4227 2.2288 H 1 UNL1 0.1727 69 H -0.8006 -4.5890 1.3489 H 1 UNL1 0.1771 70 H 1.9509 -1.6992 -0.6125 H 1 UNL1 0.1218 71 H -2.3227 5.2856 -1.5690 H 1 UNL1 0.1603 72 H 0.5977 3.4979 -2.9882 H 1 UNL1 0.1424 73 H -0.2389 5.0463 -2.8622 H 1 UNL1 0.1419 74 H 0.5002 4.3251 -1.4294 H 1 UNL1 0.1547 75 H -2.9534 6.4599 0.4412 H 1 UNL1 0.1343 76 H -4.3969 6.0125 -0.5524 H 1 UNL1 0.1309 77 H -4.5536 6.2263 1.2318 H 1 UNL1 0.1543 78 H -3.9153 -4.4664 -2.5210 H 1 UNL1 0.1821 79 H -3.9587 -5.9558 -1.5544 H 1 UNL1 0.1860 80 H -4.8108 -4.4966 -0.9856 H 1 UNL1 0.1890 81 H 3.1429 0.8776 -0.3444 H 1 UNL1 0.1444 82 H 4.2129 0.0929 2.5138 H 1 UNL1 0.1615 83 H 5.2670 0.3013 -1.4628 H 1 UNL1 0.1544 84 H 5.5604 2.1820 0.6373 H 1 UNL1 0.1545 85 H 6.6853 -0.6715 1.1638 H 1 UNL1 0.1503 86 H 7.1622 -1.6176 -1.3977 H 1 UNL1 0.1658 87 H 5.8479 -2.6208 -0.6422 H 1 UNL1 0.1329 @BOND 1 63 31 1 2 64 10 1 3 72 21 1 4 73 21 1 5 54 18 1 6 62 31 1 7 36 27 1 8 36 17 1 9 55 18 1 10 78 23 1 11 59 19 1 12 21 10 1 13 21 74 1 14 31 6 1 15 31 7 1 16 51 6 1 17 18 56 1 18 18 2 1 19 10 7 1 20 10 47 1 21 58 19 1 22 19 57 1 23 19 3 1 24 6 2 1 25 6 44 1 26 71 47 1 27 79 23 1 28 23 80 1 29 23 37 1 30 83 14 1 31 86 17 1 32 7 3 1 33 7 52 1 34 17 14 1 35 17 87 1 36 47 42 2 37 2 1 1 38 2 5 1 39 29 37 2 40 37 38 1 41 3 1 1 42 3 41 1 43 14 46 1 44 14 16 1 45 50 5 1 46 44 11 1 47 70 11 1 48 76 22 1 49 81 12 1 50 49 4 1 51 35 26 1 52 35 16 1 53 46 12 1 54 42 41 1 55 42 39 1 56 1 4 1 57 1 48 1 58 38 9 1 59 5 9 1 60 5 30 1 61 11 30 1 62 11 40 1 63 22 75 1 64 22 39 1 65 22 77 1 66 41 28 2 67 12 40 1 68 12 13 1 69 16 85 1 70 16 15 1 71 4 43 1 72 4 8 1 73 84 15 1 74 9 8 1 75 9 20 1 76 30 61 1 77 30 60 1 78 15 13 1 79 15 34 1 80 43 32 1 81 69 20 1 82 8 45 1 83 8 53 1 84 13 33 1 85 13 82 1 86 20 68 1 87 20 67 1 88 66 32 1 89 33 24 1 90 32 45 1 91 32 65 1 92 34 25 1