@MOLECULE (2s,4ar,6r,7r,8s,8ar)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}hexahydro-4ah-pyrano[2,3-b][1,4]dioxin-7-yl (2e)-3-(3,4-dihydroxyphenyl)acrylate 78 82 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.3571 -1.4890 -0.4521 C.3 1 UNL1 -0.0312 2 C 0.9306 -1.0037 -0.1907 C.3 1 UNL1 0.0695 3 C 0.9586 1.2660 -0.9061 C.3 1 UNL1 0.2674 4 C -0.0407 -2.1796 -0.4512 C.3 1 UNL1 0.0475 5 C 0.4565 2.0551 -2.1360 C.3 1 UNL1 0.0321 6 C 2.6212 -2.7439 0.4076 C.3 1 UNL1 0.2536 7 C -1.0803 2.0381 -2.1679 C.3 1 UNL1 0.0460 8 C -1.6587 2.5030 -0.8167 C.3 1 UNL1 0.0453 9 C 0.4060 -3.4866 0.2373 C.3 1 UNL1 0.0138 10 C -1.0481 1.6790 0.3374 C.3 1 UNL1 0.1169 11 C 4.6026 -0.8765 -0.2353 C.3 1 UNL1 0.0678 12 C 6.7846 0.3117 -0.1072 C.ar 1 UNL1 -0.2210 13 C -7.0083 -0.5311 0.0567 C.ar 1 UNL1 -0.2221 14 C 4.9316 1.1506 1.2188 C.ar 1 UNL1 -0.1330 15 C 5.7334 2.1797 1.7211 C.ar 1 UNL1 -0.2304 16 C -6.4035 1.8171 1.4974 C.ar 1 UNL1 -0.2121 17 C -5.3898 1.0779 0.8896 C.ar 1 UNL1 -0.1095 18 C -0.3301 -4.7061 -0.3419 C.3 1 UNL1 -0.0123 19 C -1.3873 2.2674 1.6983 C.3 1 UNL1 -0.4638 20 H 0.8238 3.7232 -1.1304 H 1 UNL1 0.3281 21 H -1.0034 3.6884 -3.2556 H 1 UNL1 0.3356 22 H -3.4614 2.4980 -1.6198 H 1 UNL1 0.3410 23 H 9.3650 2.1225 0.3876 H 1 UNL1 0.3422 24 H -9.4996 -0.9139 0.0480 H 1 UNL1 0.3400 25 H -9.5765 1.7281 1.8569 H 1 UNL1 0.3434 26 H 7.5257 3.8163 2.4031 H 1 UNL1 0.3397 27 H 0.8230 -6.0166 0.5717 H 1 UNL1 0.3249 28 C 5.4525 0.2308 0.3131 C.ar 1 UNL1 -0.0382 29 C 7.5879 1.3273 0.3972 C.ar 1 UNL1 0.2116 30 C -8.0132 0.1997 0.6691 C.ar 1 UNL1 0.1308 31 C 7.0545 2.2630 1.3076 C.ar 1 UNL1 0.1404 32 C -7.7191 1.3748 1.3926 C.ar 1 UNL1 0.2190 33 C -5.6830 -0.0885 0.1807 C.ar 1 UNL1 -0.0575 34 O -2.4621 -2.4511 -1.5783 O.2 1 UNL1 -0.5032 35 C 4.8756 -2.1979 0.5144 C.3 1 UNL1 -0.0868 36 O 0.9075 3.3857 -2.0519 O.3 1 UNL1 -0.5398 37 O -1.5726 2.8878 -3.1742 O.3 1 UNL1 -0.5496 38 O -3.0428 2.2221 -0.7722 O.3 1 UNL1 -0.5641 39 O 8.8751 1.3620 -0.0260 O.3 1 UNL1 -0.4464 40 O -9.3336 -0.1407 0.6392 O.3 1 UNL1 -0.4905 41 O -8.6720 2.1166 2.0043 O.3 1 UNL1 -0.4445 42 O 7.9268 3.2253 1.7213 O.3 1 UNL1 -0.4908 43 O -0.1368 -5.8134 0.5066 O.3 1 UNL1 -0.5350 44 C -2.4050 -1.8609 -0.5297 C.2 1 UNL1 0.6230 45 O 0.5659 -0.0567 -1.1786 O.3 1 UNL1 -0.4454 46 O -1.2447 -1.7799 0.1913 O.3 1 UNL1 -0.4414 47 C -3.4632 -1.1414 0.1777 C.2 1 UNL1 -0.3014 48 C -4.6126 -0.8550 -0.4516 C.2 1 UNL1 -0.0025 49 O 3.2466 -0.4779 -0.0152 O.3 1 UNL1 -0.3988 50 O 1.7695 -3.7756 -0.0569 O.3 1 UNL1 -0.4076 51 O 0.3737 1.7631 0.2635 O.3 1 UNL1 -0.4632 52 O 3.9385 -3.1953 0.1312 O.3 1 UNL1 -0.3755 53 H 2.5238 -1.6941 -1.5338 H 1 UNL1 0.1670 54 H 0.8044 -0.5689 0.8260 H 1 UNL1 0.1665 55 H 2.0499 1.3545 -0.7039 H 1 UNL1 0.1714 56 H -0.1923 -2.3184 -1.5494 H 1 UNL1 0.1823 57 H 0.8980 1.6862 -3.0887 H 1 UNL1 0.1774 58 H 2.4978 -2.5960 1.4994 H 1 UNL1 0.1241 59 H -1.4737 1.0330 -2.4530 H 1 UNL1 0.1744 60 H -1.5303 3.5958 -0.6706 H 1 UNL1 0.1338 61 H 0.2677 -3.4279 1.3408 H 1 UNL1 0.1551 62 H -1.3520 0.6095 0.2588 H 1 UNL1 0.1573 63 H 4.7448 -1.0031 -1.3352 H 1 UNL1 0.1490 64 H 7.2034 -0.3984 -0.8181 H 1 UNL1 0.1794 65 H -3.2506 -0.8408 1.2040 H 1 UNL1 0.1887 66 H -4.8005 -1.1856 -1.4819 H 1 UNL1 0.1710 67 H 5.8412 -2.6501 0.2232 H 1 UNL1 0.1592 68 H 4.8489 -2.0605 1.6096 H 1 UNL1 0.1398 69 H -7.2366 -1.4353 -0.5009 H 1 UNL1 0.1653 70 H 3.8905 1.0779 1.5388 H 1 UNL1 0.1745 71 H 5.3214 2.9000 2.4224 H 1 UNL1 0.1619 72 H -6.1837 2.7312 2.0460 H 1 UNL1 0.1783 73 H -4.3551 1.4294 0.9508 H 1 UNL1 0.1813 74 H -1.4280 -4.5590 -0.3474 H 1 UNL1 0.1625 75 H 0.0220 -4.9520 -1.3611 H 1 UNL1 0.1387 76 H -2.4734 2.3960 1.8029 H 1 UNL1 0.1669 77 H -1.0376 1.6179 2.5100 H 1 UNL1 0.1567 78 H -0.9166 3.2472 1.8449 H 1 UNL1 0.1559 @BOND 1 21 37 1 2 37 7 1 3 57 5 1 4 59 7 1 5 7 5 1 6 7 8 1 7 5 36 1 8 5 3 1 9 36 20 1 10 22 38 1 11 34 44 2 12 56 4 1 13 53 1 1 14 66 48 1 15 75 18 1 16 63 11 1 17 45 3 1 18 45 2 1 19 3 55 1 20 3 51 1 21 64 12 1 22 8 38 1 23 8 60 1 24 8 10 1 25 44 47 1 26 44 46 1 27 69 13 1 28 1 2 1 29 1 49 1 30 1 6 1 31 48 47 2 32 48 33 1 33 4 2 1 34 4 46 1 35 4 9 1 36 74 18 1 37 18 9 1 38 18 43 1 39 11 49 1 40 11 28 1 41 11 35 1 42 2 54 1 43 12 28 ar 44 12 29 ar 45 50 9 1 46 50 6 1 47 39 23 1 48 39 29 1 49 24 40 1 50 13 33 ar 51 13 30 ar 52 52 6 1 53 52 35 1 54 47 65 1 55 33 17 ar 56 67 35 1 57 9 61 1 58 62 10 1 59 51 10 1 60 28 14 ar 61 10 19 1 62 29 31 ar 63 6 58 1 64 43 27 1 65 35 68 1 66 40 30 1 67 30 32 ar 68 17 73 1 69 17 16 ar 70 14 70 1 71 14 15 ar 72 31 15 ar 73 31 42 1 74 32 16 ar 75 32 41 1 76 16 72 1 77 19 76 1 78 19 78 1 79 19 77 1 80 15 71 1 81 42 26 1 82 25 41 1