@MOLECULE (4ar)-7-methyl-1-{[(2s,3r,4r,5s,6r)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8393 1.4748 -0.6548 O.3 1 UNL1111111111 -0.5192 2 O -0.0866 -0.8071 0.5935 O.3 1 UNL1111111111 -0.4887 3 O -1.7946 -2.1405 1.1609 O.2 1 UNL1111111111 -0.4074 4 O 1.8671 -1.8566 -0.0191 O.3 1 UNL1111111111 -0.4720 5 O 0.7960 -0.1258 3.0168 O.3 1 UNL1111111111 -0.5383 6 O 3.0848 1.4346 2.0940 O.3 1 UNL1111111111 -0.5683 7 O 1.3878 -0.1953 -1.5521 O.3 1 UNL1111111111 -0.5868 8 O 3.4632 1.2981 -0.7132 O.3 1 UNL1111111111 -0.5277 9 O 2.6037 -2.1939 -2.8116 O.3 1 UNL1111111111 -0.5274 10 O -1.4191 3.5413 0.0067 O.2 1 UNL1111111111 -0.5113 11 C -1.9493 -0.5652 -0.7859 C.3 1 UNL1111111111 -0.2499 12 C -2.0628 0.8752 -0.2133 C.3 1 UNL1111111111 0.3587 13 C -3.4103 -1.0137 -0.9985 C.3 1 UNL1111111111 -0.0691 14 C -3.2673 1.4750 -0.9657 C.3 1 UNL1111111111 -0.3297 15 C -4.2037 0.2945 -1.2630 C.3 1 UNL1111111111 -0.2702 16 C -1.1389 -1.5596 0.0343 C.3 1 UNL1111111111 0.3365 17 C -2.1829 0.9983 1.2939 C.3 1 UNL1111111111 -0.4893 18 C -3.9414 -1.7412 0.1893 C.2 1 UNL1111111111 -0.3432 19 C 1.0356 -1.5365 1.0514 C.3 1 UNL1111111111 0.2796 20 C -3.1445 -2.2134 1.1525 C.2 1 UNL1111111111 0.1245 21 C 1.7066 -0.5540 2.0407 C.3 1 UNL1111111111 0.0302 22 C 2.2356 0.6649 1.2676 C.3 1 UNL1111111111 0.0530 23 C 2.3883 -0.8018 -0.8112 C.3 1 UNL1111111111 0.4365 24 C 3.1346 0.2026 0.1100 C.3 1 UNL1111111111 0.0207 25 C -0.6159 2.8039 -0.5000 C.2 1 UNL1111111111 0.6544 26 C 3.3235 -1.4788 -1.8373 C.3 1 UNL1111111111 -0.0239 27 C 0.7227 3.1452 -1.0526 C.3 1 UNL1111111111 -0.5248 28 H -1.4443 -0.4735 -1.7875 H 1 UNL1111111111 0.1808 29 H -3.4767 -1.6824 -1.8912 H 1 UNL1111111111 0.1473 30 H -2.9305 1.9648 -1.8967 H 1 UNL1111111111 0.1580 31 H -3.7626 2.2675 -0.3797 H 1 UNL1111111111 0.1656 32 H -5.1053 0.3420 -0.6295 H 1 UNL1111111111 0.1471 33 H -4.5625 0.3275 -2.3046 H 1 UNL1111111111 0.1402 34 H -0.7479 -2.4245 -0.5481 H 1 UNL1111111111 0.1428 35 H -2.4187 2.0311 1.5940 H 1 UNL1111111111 0.1790 36 H -2.9805 0.3481 1.6788 H 1 UNL1111111111 0.1705 37 H -1.2513 0.7190 1.8037 H 1 UNL1111111111 0.1504 38 H -5.0177 -1.8663 0.2296 H 1 UNL1111111111 0.1681 39 H 0.7584 -2.5208 1.4828 H 1 UNL1111111111 0.1628 40 H 2.5106 -1.0535 2.6290 H 1 UNL1111111111 0.1720 41 H -3.4312 -2.7368 2.0616 H 1 UNL1111111111 0.1622 42 H 1.4099 1.3246 0.9169 H 1 UNL1111111111 0.1537 43 H 4.0780 -0.2444 0.4982 H 1 UNL1111111111 0.1477 44 H 3.9690 -2.2397 -1.3619 H 1 UNL1111111111 0.1517 45 H 3.9319 -0.7057 -2.3490 H 1 UNL1111111111 0.1483 46 H -0.0992 0.0260 2.6068 H 1 UNL1111111111 0.3378 47 H 2.6556 1.5779 2.9684 H 1 UNL1111111111 0.3427 48 H 0.6440 0.1330 -0.9884 H 1 UNL1111111111 0.3718 49 H 3.8688 2.0041 -0.1558 H 1 UNL1111111111 0.3322 50 H 1.2583 2.2747 -1.4833 H 1 UNL1111111111 0.2119 51 H 1.3735 3.5725 -0.2739 H 1 UNL1111111111 0.1868 52 H 0.6312 3.8984 -1.8515 H 1 UNL1111111111 0.1882 53 H 1.7710 -1.7112 -3.0177 H 1 UNL1111111111 0.3335 @BOND 1 1 12 1 2 1 25 1 3 2 16 1 4 2 19 1 5 3 16 1 6 3 20 1 7 4 19 1 8 4 23 1 9 5 21 1 10 5 46 1 11 6 22 1 12 6 47 1 13 7 23 1 14 7 48 1 15 8 24 1 16 8 49 1 17 9 26 1 18 9 53 1 19 10 25 2 20 11 12 1 21 11 13 1 22 11 16 1 23 11 28 1 24 12 14 1 25 12 17 1 26 13 15 1 27 13 18 1 28 13 29 1 29 14 15 1 30 14 30 1 31 14 31 1 32 15 32 1 33 15 33 1 34 16 34 1 35 17 35 1 36 17 36 1 37 17 37 1 38 18 20 2 39 18 38 1 40 19 21 1 41 19 39 1 42 20 41 1 43 21 22 1 44 21 40 1 45 22 24 1 46 22 42 1 47 23 24 1 48 23 26 1 49 24 43 1 50 25 27 1 51 26 44 1 52 26 45 1 53 27 50 1 54 27 51 1 55 27 52 1