24180680 -OEChem-04252401152D 145153 0 1 0 0 0 0 0999 V2000 7.5126 7.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9431 9.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1364 3.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4576 7.3490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0024 2.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4043 0.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1364 -0.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 -0.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6005 -2.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 -3.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7345 -3.8948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6005 -6.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3325 -5.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 -6.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6005 -8.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 -9.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1364 -8.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2704 -6.8948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1986 -3.8948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 7.2323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5164 6.7357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7844 6.7290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5203 5.7357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4163 5.2045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3203 5.7218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0448 7.3932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7882 5.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6562 5.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 8.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4083 7.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4464 8.3026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3163 6.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3954 4.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 6.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2662 5.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5483 4.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3286 3.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2704 4.1052 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0671 7.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3225 7.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6623 6.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 6.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1364 2.6052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2704 2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2704 1.1052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0024 1.1052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1364 0.6052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8684 0.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0024 -0.8948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0024 -1.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 -2.3948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7345 -0.8948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7345 -1.8948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6005 -0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6005 -3.3948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4665 -3.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4665 -4.8948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6005 -5.3948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7345 -4.8948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8684 -5.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7345 -6.8948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7345 -7.8948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8684 -8.3948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0024 -7.8948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0024 -6.8948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1986 -4.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1364 -6.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0646 -5.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2574 6.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2580 6.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8549 6.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6534 7.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1772 5.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5784 5.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2595 4.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0565 4.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0517 8.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4322 8.8233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8001 7.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0019 7.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7819 8.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9276 6.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5231 7.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7866 4.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1751 3.5401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6082 6.7614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3845 5.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2324 5.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8774 5.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 5.7747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2404 5.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0102 4.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8562 4.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9259 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7241 3.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8067 4.4162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5102 8.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 9.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 8.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 8.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 5.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5995 2.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0583 2.6878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6598 1.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7334 1.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5394 1.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5995 0.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5584 0.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4054 0.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1784 1.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8674 0.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0024 -0.2748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3918 -1.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7904 -2.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3315 -2.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7345 -0.2748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2714 -1.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9105 -0.9317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1374 -0.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2905 0.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3315 -3.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0636 -3.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0771 -4.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6786 -3.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0035 -4.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0636 -5.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1975 -4.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5584 -4.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3315 -5.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1784 -5.9317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2714 -7.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7345 -8.5148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4054 -8.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0024 -8.5148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0024 -6.2748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5349 -5.9198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7379 -5.9198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1374 -8.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4054 -9.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1364 -9.0148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7546 -5.9317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6015 -5.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3746 -4.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7334 -6.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 1 0 0 0 1 98 1 0 0 0 0 32 2 1 1 0 0 0 2 99 1 0 0 0 0 3 39 1 0 0 0 0 44 3 1 6 0 0 0 4 41 1 0 0 0 0 4 43 1 0 0 0 0 5 44 1 0 0 0 0 5 47 1 0 0 0 0 6 43 2 0 0 0 0 46 7 1 1 0 0 0 7112 1 0 0 0 0 48 8 1 1 0 0 0 50 8 1 6 0 0 0 9 50 1 0 0 0 0 9 53 1 0 0 0 0 54 10 1 1 0 0 0 56 10 1 1 0 0 0 52 11 1 1 0 0 0 11122 1 0 0 0 0 12 56 1 0 0 0 0 12 60 1 0 0 0 0 59 13 1 6 0 0 0 62 13 1 1 0 0 0 58 14 1 6 0 0 0 14 67 1 0 0 0 0 15 62 1 0 0 0 0 15 66 1 0 0 0 0 63 16 1 6 0 0 0 16139 1 0 0 0 0 64 17 1 1 0 0 0 17140 1 0 0 0 0 65 18 1 6 0 0 0 18141 1 0 0 0 0 19 68 1 0 0 0 0 19145 1 0 0 0 0 20 67 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 30 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 22 70 1 1 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 23 35 1 1 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 24 71 1 6 0 0 0 25 26 1 0 0 0 0 25 34 1 0 0 0 0 25 37 1 1 0 0 0 26 33 1 0 0 0 0 26 36 1 0 0 0 0 26 72 1 0 0 0 0 27 32 1 0 0 0 0 27 40 1 1 0 0 0 27 73 1 0 0 0 0 28 29 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 32 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 31 33 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 32 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 38 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 36 39 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 37 92 1 0 0 0 0 37 93 1 0 0 0 0 37 94 1 0 0 0 0 38 39 1 0 0 0 0 38 95 1 0 0 0 0 38 96 1 0 0 0 0 39 97 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 41100 1 0 0 0 0 41101 1 0 0 0 0 42 43 1 0 0 0 0 42102 1 0 0 0 0 44 45 1 0 0 0 0 44103 1 0 0 0 0 45 46 1 0 0 0 0 45104 1 0 0 0 0 45105 1 0 0 0 0 46 48 1 0 0 0 0 46106 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 6 0 0 0 47107 1 0 0 0 0 48108 1 0 0 0 0 49109 1 0 0 0 0 49110 1 0 0 0 0 49111 1 0 0 0 0 50 51 1 0 0 0 0 50113 1 0 0 0 0 51 52 1 0 0 0 0 51114 1 0 0 0 0 51115 1 0 0 0 0 52 54 1 0 0 0 0 52116 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 6 0 0 0 53117 1 0 0 0 0 54118 1 0 0 0 0 55119 1 0 0 0 0 55120 1 0 0 0 0 55121 1 0 0 0 0 56 57 1 0 0 0 0 56123 1 0 0 0 0 57 58 1 0 0 0 0 57124 1 0 0 0 0 57125 1 0 0 0 0 58 59 1 0 0 0 0 58126 1 0 0 0 0 59 60 1 0 0 0 0 59127 1 0 0 0 0 60 61 1 1 0 0 0 60128 1 0 0 0 0 61129 1 0 0 0 0 61130 1 0 0 0 0 61131 1 0 0 0 0 62 63 1 0 0 0 0 62132 1 0 0 0 0 63 64 1 0 0 0 0 63133 1 0 0 0 0 64 65 1 0 0 0 0 64134 1 0 0 0 0 65 66 1 0 0 0 0 65135 1 0 0 0 0 66 68 1 1 0 0 0 66136 1 0 0 0 0 67 69 1 0 0 0 0 68137 1 0 0 0 0 68138 1 0 0 0 0 69142 1 0 0 0 0 69143 1 0 0 0 0 69144 1 0 0 0 0 M END > 24180680 > 1 > 1870 > 20 > 8 > 12 > AAADcfB8PgAAAAAAAAAAAAAAAAAAAYIAAAA0aNEiAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAACAAAAEgRFAIAIQAiUAAFwAAPIQPA4PwPgAAAAAAAAADAAAYAADAAAYQADAAAAA== > [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl] acetate > acetic acid [(2R,3R,4S,6S)-6-[[(2R,3S,4S,6S)-6-[[(2R,3S,4S,6R)-6-[[(8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-2-methyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-oxanyl] ester > [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate > [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate > [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(8R,9S,10S,13R,14S,16S,17R)-10,13-dimethyl-14,16-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-oxan-4-yl] ethanoate > acetic acid [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl] ester > InChI=1S/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26?,27?,28+,29-,30+,31+,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1 > XVAPNQFQPDAROQ-KBADXSOQSA-N > 0.5 > 984.49299481 > C49H76O20 > 985.1 > CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O > C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)OC3CC[C@@]4([C@H]5CC[C@@]6([C@H]([C@H](C[C@@]6([C@@H]5CCC4C3)O)O)C7=CC(=O)OC7)C)C)C)O)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C > 288 > 984.49299481 > 0 > 69 > 24 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 1 5 54 10 5 56 10 5 52 11 5 59 13 6 62 13 5 58 14 6 63 16 6 64 17 5 65 18 6 32 2 5 22 70 5 23 35 5 24 71 6 25 37 5 26 33 3 27 40 5 39 3 3 44 3 6 47 49 6 53 55 6 60 61 5 66 68 5 46 7 5 48 8 5 50 8 6 $$$$