@MOLECULE 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4h-chromen-3-yl 6-deoxy-2-o-[(3xi)-beta-d-erythro-pentopyranosyl]-alpha-l-erythro-hexopyranoside 46 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.8871 -6.6571 -1.5207 C.2 1 UNL1 0.4569 2 O 1.7697 -6.6672 -0.7996 O.2 1 UNL1 -0.4573 3 C 1.9888 -3.0083 0.9289 C.2 1 UNL1 -0.6418 4 C 1.4492 -4.1340 1.4325 C.1 1 UNL1 0.7043 5 C 1.2904 -1.7021 0.8619 C.2 1 UNL1 0.5778 6 C 2.2498 -0.7538 0.1709 C.2 1 UNL1 -0.3670 7 C 3.3749 -1.4665 -0.1011 C.2 1 UNL1 0.1395 8 C 3.2914 -2.9343 0.3788 C.3 1 UNL1 0.2381 9 C 1.7259 0.5141 -0.1846 C.3 1 UNL1 0.1843 10 C 0.4515 0.7083 -0.5779 C.3 1 UNL1 -0.2125 11 O 0.2025 -1.4370 1.2851 O.2 1 UNL1 -0.4378 12 C -0.8458 1.1192 -0.9382 C.3 1 UNL1 0.1295 13 O -5.3500 3.0893 3.0189 O.2 2 UNL2 -0.4309 14 C -4.4729 3.4526 2.3909 C.2 2 UNL2 0.4311 15 C -1.4787 3.9895 1.1947 C.2 3 UNL3 0.4287 16 C -4.0876 2.3838 -1.4647 C.1 1 UNL1 0.4845 17 O -4.6267 3.3836 -1.6663 O.2 1 UNL1 -0.1333 18 C -3.4350 1.2577 -1.2537 C.2 1 UNL1 -0.2052 19 O -6.1399 0.7301 0.3922 O.2 4 UNL4 -0.4487 20 C -2.1043 0.7303 -1.0271 C.2 1 UNL1 -0.0099 21 O 1.0853 -5.0960 1.9342 O.2 1 UNL1 -0.1336 22 C -2.7601 -0.5811 -0.8297 C.2 1 UNL1 0.3824 23 O -4.0423 -0.0524 -1.0657 O.2 1 UNL1 -0.2112 24 C -5.9171 -0.3700 0.5959 C.2 4 UNL4 0.4477 25 C -6.0097 -3.1336 -0.0703 C.2 5 UNL5 0.4406 26 O -7.0003 -2.7934 -0.5192 O.2 5 UNL5 -0.4415 27 C -2.0863 -2.9952 -0.2681 C.1 1 UNL1 0.1216 28 O -1.8051 -4.2021 0.0002 O.3 1 UNL1 0.4548 29 C -2.4468 -1.8253 -0.5511 C.1 1 UNL1 -0.2630 30 O -0.5323 -4.4759 0.0993 O.3 1 UNL1 -0.6756 31 C 0.1638 2.1355 -0.9423 C.3 1 UNL1 -0.0176 32 O -0.5906 4.5031 1.6888 O.2 3 UNL3 -0.4293 33 C 1.2762 2.8591 -0.8043 C.2 1 UNL1 -0.1319 34 C 1.5128 4.3256 -1.0651 C.2 1 UNL1 0.5178 35 O 0.7474 5.0670 -1.6101 O.2 1 UNL1 -0.3569 36 C 2.8298 4.5255 -0.5185 C.2 1 UNL1 -0.1296 37 C 3.6152 3.7289 0.0016 C.2 1 UNL1 -0.0452 38 O 4.7439 1.7477 2.1781 O.2 1 UNL1 -0.3926 39 C 3.5257 2.3428 0.2639 C.3 1 UNL1 -0.0330 40 C 4.8656 0.0891 -0.9779 C.2 1 UNL1 -0.3330 41 C 4.5844 1.6073 0.9928 C.2 1 UNL1 0.5292 42 C 5.4438 0.7487 0.1750 C.2 1 UNL1 -0.6510 43 C 6.6879 0.4349 0.5447 C.2 1 UNL1 0.5877 44 C 4.7769 0.6386 -2.1897 C.2 1 UNL1 0.4647 45 C 2.3381 1.8873 -0.2221 C.2 1 UNL1 -0.0085 46 O 4.5087 -1.2420 -0.7511 O.2 1 UNL1 -0.1237 @BOND 1 44 40 2 2 17 16 2 3 35 34 2 4 1 2 2 5 16 18 2 6 18 23 1 7 18 20 1 8 23 22 1 9 34 33 1 10 34 36 1 11 20 12 1 12 20 22 2 13 40 46 1 14 40 42 1 15 31 12 1 16 31 33 1 17 31 10 1 18 12 10 1 19 22 29 1 20 33 45 2 21 46 7 1 22 10 9 1 23 29 27 3 24 26 25 2 25 36 37 2 26 27 28 1 27 45 9 1 28 45 39 1 29 9 6 1 30 7 6 2 31 7 8 1 32 28 30 1 33 37 39 1 34 6 5 1 35 42 43 2 36 42 41 1 37 39 41 1 38 8 3 1 39 19 24 2 40 5 3 1 41 5 11 2 42 3 4 2 43 41 38 2 44 15 32 2 45 4 21 2 46 14 13 2