@MOLECULE (3as,6r,6ar,8s,9ar,9bs)-6-hydroxy-6-methyl-3,9-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-8-yl 2,6-bis-o-[(4-hydroxyphenyl)acetyl]-beta-d-glucopyranoside 92 97 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.2916 -2.6618 -1.2263 C.3 1 UNL1 -0.1398 2 C 0.5061 -2.2028 0.2440 C.3 1 UNL1 -0.1554 3 C 1.5126 -3.2186 -1.9984 C.3 1 UNL1 0.3316 4 C 1.8503 -1.5094 0.4457 C.3 1 UNL1 0.1060 5 C 3.0336 -2.5052 0.3980 C.3 1 UNL1 -0.1691 6 C -0.9355 -0.5496 -0.8448 C.3 1 UNL1 0.1032 7 C -0.5671 1.7291 -0.2263 C.3 1 UNL1 0.2662 8 C 0.3301 2.8913 -0.7126 C.3 1 UNL1 0.0173 9 C -0.2669 4.2709 -0.3959 C.3 1 UNL1 0.0646 10 C -2.4733 3.1360 -0.0056 C.3 1 UNL1 0.0593 11 C -1.7785 4.3262 -0.6943 C.3 1 UNL1 0.0771 12 C 5.5641 0.8606 1.6353 C.ar 1 UNL1 -0.0870 13 C 5.2404 0.9910 -0.7575 C.ar 1 UNL1 -0.0855 14 C 6.7698 0.1919 1.4526 C.ar 1 UNL1 -0.3047 15 C 6.4312 0.3049 -0.9660 C.ar 1 UNL1 -0.2532 16 C -6.1967 -1.7371 -0.1866 C.ar 1 UNL1 -0.0674 17 C -7.2690 -0.7883 1.7689 C.ar 1 UNL1 -0.0925 18 C -7.3361 -2.4863 -0.4627 C.ar 1 UNL1 -0.3082 19 C -8.4167 -1.5281 1.5157 C.ar 1 UNL1 -0.2462 20 C -3.9622 3.0545 -0.3632 C.3 1 UNL1 -0.0311 21 C 3.5144 1.9828 0.8289 C.3 1 UNL1 -0.3560 22 C -4.9229 -0.1018 1.2192 C.3 1 UNL1 -0.3518 23 C 1.0717 -3.6450 -3.4129 C.3 1 UNL1 -0.5147 24 H 2.6019 -4.8510 -1.6664 H 1 UNL1 0.3186 25 H 1.2617 5.2532 -1.1864 H 1 UNL1 0.3312 26 H -1.8559 6.2752 -0.4125 H 1 UNL1 0.3382 27 H 8.8482 -0.9605 0.6833 H 1 UNL1 0.3269 28 H -9.5506 -3.6314 -0.5959 H 1 UNL1 0.3275 29 C 4.7914 1.2596 0.5384 C.ar 1 UNL1 -0.0639 30 C -6.1583 -0.8909 0.9248 C.ar 1 UNL1 -0.0742 31 C 7.1804 -0.0836 0.1472 C.ar 1 UNL1 0.2844 32 C -8.4297 -2.3687 0.3976 C.ar 1 UNL1 0.2922 33 O 3.3219 -0.5927 3.4061 O.2 1 UNL1 -0.4685 34 O 2.5143 1.4363 -1.3442 O.2 1 UNL1 -0.4884 35 O -4.4031 0.4793 -1.0830 O.2 1 UNL1 -0.4952 36 C -0.3636 -1.4654 -1.9449 C.3 1 UNL1 -0.3124 37 C 2.7457 -2.2982 -2.1085 C.3 1 UNL1 -0.3507 38 C 3.7447 -2.4213 -0.9504 C.3 1 UNL1 -0.2522 39 O 1.8288 -4.4022 -1.2810 O.3 1 UNL1 -0.5836 40 O 0.2851 5.2417 -1.2639 O.3 1 UNL1 -0.5631 41 O -2.3377 5.4758 -0.1000 O.3 1 UNL1 -0.5534 42 O 8.3306 -0.7532 -0.1301 O.3 1 UNL1 -0.4799 43 O -9.5829 -3.0625 0.2100 O.3 1 UNL1 -0.4745 44 C 2.5180 2.0045 -0.2881 C.2 1 UNL1 0.6352 45 C -4.5906 0.7983 0.0595 C.2 1 UNL1 0.6253 46 O -0.1715 0.6466 -1.0159 O.3 1 UNL1 -0.3913 47 O 1.5111 2.8541 0.0839 O.3 1 UNL1 -0.4746 48 O -4.5374 2.0833 0.5038 O.3 1 UNL1 -0.4295 49 C -0.5866 -1.1943 0.4733 C.2 1 UNL1 -0.0192 50 C 3.8618 -2.1272 1.5839 C.2 1 UNL1 -0.1314 51 C 3.0633 -1.1596 2.3793 C.2 1 UNL1 0.5898 52 O 1.8648 -0.9139 1.7610 O.3 1 UNL1 -0.4192 53 O -1.9304 1.9531 -0.5508 O.3 1 UNL1 -0.4475 54 C -1.1489 -0.9162 1.6452 C.2 1 UNL1 -0.3306 55 C 5.0697 -2.5624 1.9260 C.2 1 UNL1 -0.2270 56 H -0.4489 -3.5043 -1.1809 H 1 UNL1 0.1580 57 H 0.4198 -3.0734 0.9328 H 1 UNL1 0.1632 58 H 1.9731 -0.6410 -0.2430 H 1 UNL1 0.1704 59 H 0.3702 -0.8951 -2.5509 H 1 UNL1 0.1717 60 H -1.1495 -1.7881 -2.6442 H 1 UNL1 0.1504 61 H 2.6536 -3.5541 0.5429 H 1 UNL1 0.1922 62 H -2.0153 -0.3277 -0.9736 H 1 UNL1 0.1627 63 H 3.2825 -2.4940 -3.0567 H 1 UNL1 0.1460 64 H 2.4052 -1.2426 -2.1963 H 1 UNL1 0.1742 65 H 4.4315 -1.5470 -0.9683 H 1 UNL1 0.1568 66 H 4.3908 -3.3076 -1.0883 H 1 UNL1 0.1357 67 H 0.2018 -4.3105 -3.3668 H 1 UNL1 0.1605 68 H 0.8044 -2.7827 -4.0312 H 1 UNL1 0.1586 69 H 1.8647 -4.1939 -3.9296 H 1 UNL1 0.1469 70 H -0.8500 -1.3904 2.5690 H 1 UNL1 0.1604 71 H -1.9289 -0.1848 1.7806 H 1 UNL1 0.1445 72 H -0.4705 1.5093 0.8577 H 1 UNL1 0.1380 73 H 5.6368 -3.2689 1.3364 H 1 UNL1 0.1533 74 H 5.5813 -2.2361 2.8236 H 1 UNL1 0.1605 75 H 0.5806 2.7806 -1.7942 H 1 UNL1 0.1866 76 H -0.0492 4.5771 0.6548 H 1 UNL1 0.1542 77 H -2.3306 3.1588 1.0982 H 1 UNL1 0.1490 78 H -1.9697 4.3540 -1.7905 H 1 UNL1 0.1552 79 H -4.4958 3.9891 -0.1038 H 1 UNL1 0.1633 80 H -4.1266 2.7931 -1.4252 H 1 UNL1 0.1638 81 H 3.0091 1.5222 1.7236 H 1 UNL1 0.2122 82 H 3.7403 3.0288 1.1510 H 1 UNL1 0.1937 83 H -5.0242 0.4867 2.1588 H 1 UNL1 0.1832 84 H -4.0583 -0.7873 1.3941 H 1 UNL1 0.1895 85 H 5.2154 1.0641 2.6517 H 1 UNL1 0.1685 86 H 4.6610 1.3112 -1.6274 H 1 UNL1 0.1790 87 H 7.3696 -0.1071 2.3042 H 1 UNL1 0.1595 88 H 6.7878 0.0770 -1.9669 H 1 UNL1 0.1736 89 H -5.3306 -1.7988 -0.8518 H 1 UNL1 0.1731 90 H -7.2397 -0.1229 2.6317 H 1 UNL1 0.1538 91 H -7.3714 -3.1395 -1.3272 H 1 UNL1 0.1614 92 H -9.2914 -1.4651 2.1574 H 1 UNL1 0.1752 @BOND 1 68 23 1 2 69 23 1 3 23 67 1 4 23 3 1 5 63 37 1 6 60 36 1 7 59 36 1 8 64 37 1 9 37 3 1 10 37 38 1 11 3 39 1 12 3 1 1 13 88 15 1 14 36 1 1 15 36 6 1 16 75 8 1 17 78 11 1 18 24 39 1 19 86 13 1 20 80 20 1 21 34 44 2 22 91 18 1 23 40 25 1 24 40 9 1 25 1 56 1 26 1 2 1 27 66 38 1 28 35 45 2 29 46 6 1 30 46 7 1 31 62 6 1 32 65 38 1 33 15 13 ar 34 15 31 ar 35 38 5 1 36 89 16 1 37 6 49 1 38 13 29 ar 39 8 9 1 40 8 7 1 41 8 47 1 42 11 9 1 43 11 41 1 44 11 10 1 45 28 43 1 46 53 7 1 47 53 10 1 48 18 16 ar 49 18 32 ar 50 26 41 1 51 9 76 1 52 20 79 1 53 20 10 1 54 20 48 1 55 44 47 1 56 44 21 1 57 58 4 1 58 7 72 1 59 16 30 ar 60 42 31 1 61 42 27 1 62 10 77 1 63 45 48 1 64 45 22 1 65 31 14 ar 66 43 32 1 67 2 4 1 68 2 49 1 69 2 57 1 70 32 19 ar 71 5 4 1 72 5 61 1 73 5 50 1 74 4 52 1 75 49 54 2 76 29 21 1 77 29 12 ar 78 21 82 1 79 21 81 1 80 30 22 1 81 30 17 ar 82 22 84 1 83 22 83 1 84 73 55 1 85 14 12 ar 86 14 87 1 87 19 17 ar 88 19 92 1 89 50 55 2 90 50 51 1 91 12 85 1 92 54 71 1 93 54 70 1 94 52 51 1 95 17 90 1 96 55 74 1 97 51 33 2