@MOLECULE {2-hydroxy-5-[2-(4-hydroxy-2-oxodihydro-3(2h)-furanylidene)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl}methyl hexopyranoside 76 79 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7922 0.8764 3.0211 O.3 1 UNL1111 -0.5614 2 O -2.5275 -0.9955 0.1503 O.3 1 UNL1111 -0.4034 3 O -4.1621 0.5008 -0.3671 O.3 1 UNL1111 -0.4736 4 O -4.4198 -3.1567 -0.3116 O.3 1 UNL1111 -0.5324 5 O 8.0980 -0.9830 -0.6262 O.3 1 UNL1111 -0.3861 6 O -7.0996 -2.2062 0.3080 O.3 1 UNL1111 -0.5612 7 O -7.6706 0.2593 -1.0629 O.3 1 UNL1111 -0.5528 8 O 5.4944 -1.9378 1.3520 O.3 1 UNL1111 -0.5424 9 O 7.9938 1.2409 -0.7052 O.2 1 UNL1111 -0.4350 10 O -4.5730 3.0762 -1.2407 O.3 1 UNL1111 -0.5354 11 C 1.2834 1.3207 0.1165 C.3 1 UNL1111 0.0766 12 C 0.7561 -0.0923 0.4847 C.3 1 UNL1111 -0.1512 13 C -0.5929 -0.1361 1.2531 C.3 1 UNL1111 0.0251 14 C 2.7500 1.1724 -0.4103 C.3 1 UNL1111 -0.1412 15 C 1.2665 2.2415 1.3557 C.3 1 UNL1111 -0.2927 16 C -0.4967 0.8605 2.4434 C.3 1 UNL1111 0.1323 17 C 0.7251 -0.9815 -0.7675 C.3 1 UNL1111 -0.2662 18 C -0.1147 2.2783 2.0063 C.3 1 UNL1111 -0.3319 19 C 0.4988 2.0191 -1.0070 C.3 1 UNL1111 -0.4652 20 C 2.1320 -1.1160 -1.3666 C.3 1 UNL1111 -0.2963 21 C 2.7702 0.2225 -1.5823 C.2 1 UNL1111 0.0528 22 C -1.8147 0.2237 0.3883 C.3 1 UNL1111 -0.0423 23 C -0.7842 -1.5346 1.8635 C.3 1 UNL1111 -0.4444 24 C 3.7540 0.6760 0.6528 C.3 1 UNL1111 -0.3226 25 C 3.3464 0.5540 -2.7397 C.2 1 UNL1111 -0.3894 26 C 5.1459 0.9258 0.1865 C.2 1 UNL1111 0.0281 27 C -3.7121 -0.8259 -0.5796 C.3 1 UNL1111 0.2734 28 C -4.7282 -1.8264 0.0173 C.3 1 UNL1111 0.0231 29 C 6.0356 -0.0410 -0.0506 C.2 1 UNL1111 -0.3010 30 C -6.1509 -1.5273 -0.4896 C.3 1 UNL1111 0.0396 31 C -5.4041 0.8292 -0.9621 C.3 1 UNL1111 0.0517 32 C -6.5053 -0.0381 -0.3250 C.3 1 UNL1111 0.0747 33 C 5.8503 -1.5250 0.0586 C.3 1 UNL1111 0.1376 34 C 7.4224 0.2107 -0.4864 C.2 1 UNL1111 0.5900 35 C 7.2339 -2.0898 -0.3495 C.3 1 UNL1111 -0.1019 36 C -5.5777 2.3148 -0.6066 C.3 1 UNL1111 -0.0122 37 H 1.5117 -0.5343 1.1901 H 1 UNL1111 0.1441 38 H 3.0793 2.1901 -0.7435 H 1 UNL1111 0.1482 39 H 1.5788 3.2630 1.0673 H 1 UNL1111 0.1450 40 H 2.0093 1.9019 2.1035 H 1 UNL1111 0.1366 41 H 0.2120 0.4761 3.2105 H 1 UNL1111 0.1175 42 H 0.3298 -1.9845 -0.5141 H 1 UNL1111 0.1485 43 H 0.0242 -0.5763 -1.5200 H 1 UNL1111 0.1453 44 H -0.8739 2.6846 1.3121 H 1 UNL1111 0.1550 45 H -0.1148 2.9632 2.8733 H 1 UNL1111 0.1399 46 H 0.9552 2.9799 -1.2731 H 1 UNL1111 0.1485 47 H -0.5348 2.2303 -0.7174 H 1 UNL1111 0.1463 48 H 0.4753 1.4150 -1.9228 H 1 UNL1111 0.1566 49 H 2.7687 -1.7263 -0.6909 H 1 UNL1111 0.1510 50 H 2.0774 -1.6898 -2.3128 H 1 UNL1111 0.1457 51 H -2.4852 0.9224 0.9302 H 1 UNL1111 0.1616 52 H -1.5437 0.6467 -0.5905 H 1 UNL1111 0.1223 53 H 0.0553 -1.8257 2.4994 H 1 UNL1111 0.1371 54 H -0.9088 -2.3055 1.0935 H 1 UNL1111 0.1588 55 H -1.6995 -1.5572 2.4755 H 1 UNL1111 0.1727 56 H 3.5788 -0.3979 0.8834 H 1 UNL1111 0.1781 57 H 3.5926 1.2028 1.6190 H 1 UNL1111 0.1635 58 H -1.8276 1.4900 3.7755 H 1 UNL1111 0.3109 59 H 3.3873 -0.0968 -3.5969 H 1 UNL1111 0.1496 60 H 3.8244 1.5017 -2.9252 H 1 UNL1111 0.1510 61 H 5.4165 1.9806 0.0449 H 1 UNL1111 0.1637 62 H -3.4946 -0.9777 -1.6569 H 1 UNL1111 0.1124 63 H -4.6749 -1.8250 1.1339 H 1 UNL1111 0.1888 64 H -6.2956 -1.8656 -1.5400 H 1 UNL1111 0.1399 65 H -5.3474 0.6835 -2.0625 H 1 UNL1111 0.1485 66 H -6.6824 0.2130 0.7449 H 1 UNL1111 0.1526 67 H 5.0148 -1.9218 -0.5598 H 1 UNL1111 0.1618 68 H 7.7163 -2.6638 0.4579 H 1 UNL1111 0.1561 69 H 7.2065 -2.6867 -1.2740 H 1 UNL1111 0.1510 70 H -4.0966 -3.2433 -1.2310 H 1 UNL1111 0.3146 71 H -6.5250 2.7151 -1.0167 H 1 UNL1111 0.1609 72 H -5.5282 2.4883 0.4834 H 1 UNL1111 0.1317 73 H -6.8057 -3.1323 0.4624 H 1 UNL1111 0.3396 74 H -8.3956 -0.3477 -0.7897 H 1 UNL1111 0.3393 75 H 6.0905 -1.5536 2.0287 H 1 UNL1111 0.3229 76 H -3.6932 2.7178 -0.9926 H 1 UNL1111 0.3197 @BOND 1 1 16 1 2 1 58 1 3 2 22 1 4 2 27 1 5 3 27 1 6 3 31 1 7 4 28 1 8 4 70 1 9 5 34 1 10 5 35 1 11 6 30 1 12 6 73 1 13 7 32 1 14 7 74 1 15 8 33 1 16 8 75 1 17 9 34 2 18 10 36 1 19 10 76 1 20 11 12 1 21 11 14 1 22 11 15 1 23 11 19 1 24 12 13 1 25 12 17 1 26 12 37 1 27 13 16 1 28 13 22 1 29 13 23 1 30 14 21 1 31 14 24 1 32 14 38 1 33 15 18 1 34 15 39 1 35 15 40 1 36 16 18 1 37 16 41 1 38 17 20 1 39 17 42 1 40 17 43 1 41 18 44 1 42 18 45 1 43 19 46 1 44 19 47 1 45 19 48 1 46 20 21 1 47 20 49 1 48 20 50 1 49 21 25 2 50 22 51 1 51 22 52 1 52 23 53 1 53 23 54 1 54 23 55 1 55 24 26 1 56 24 56 1 57 24 57 1 58 25 59 1 59 25 60 1 60 26 29 2 61 26 61 1 62 27 28 1 63 27 62 1 64 28 30 1 65 28 63 1 66 29 33 1 67 29 34 1 68 30 32 1 69 30 64 1 70 31 32 1 71 31 36 1 72 31 65 1 73 32 66 1 74 33 35 1 75 33 67 1 76 35 68 1 77 35 69 1 78 36 71 1 79 36 72 1