13943297 -OEChem-09272320532D 123130 0 1 0 0 0 0 0999 V2000 6.8671 -2.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 -1.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4936 0.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1816 3.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -1.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 6.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4049 0.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1408 1.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8690 0.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -0.3168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7333 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -1.3168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0910 0.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8831 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 1.2316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6270 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9851 1.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 -1.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 1.5414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1079 -0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -1.3377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4936 0.6985 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0988 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0753 2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7770 2.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1170 -2.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1171 -2.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7251 2.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9736 1.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7156 3.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7617 4.1075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2651 -1.3443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -4.3168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4437 5.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 -0.3443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -4.8168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -3.3168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -4.3168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1369 0.1523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3918 5.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4956 4.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 -1.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0010 -0.3510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3439 0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5212 1.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7372 -0.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4725 -0.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4923 1.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1012 1.8051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0207 0.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2224 0.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -1.2092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.8994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3860 2.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 2.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2543 1.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5729 -0.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3633 -0.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1440 -0.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7422 0.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5295 -1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 1.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4788 -0.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1035 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7187 -0.8052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6953 2.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0705 2.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4553 2.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 -3.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4208 -3.2637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6575 -2.4195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 -2.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8009 -3.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6504 -3.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8597 2.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3411 2.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 0.1515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 2.3922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4754 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3427 1.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3328 3.7485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8388 4.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 4.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7294 -1.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2714 0.2757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6751 0.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 4.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9797 5.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1947 5.9614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2985 5.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 4.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6928 4.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2070 -1.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6082 -1.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5181 6.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5368 -0.6631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -2.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -2.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4073 0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6789 1.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4047 -0.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25 1 1 1 0 0 0 40 1 1 1 0 0 0 31 2 1 6 0 0 0 43 2 1 1 0 0 0 32 3 1 6 0 0 0 3 90 1 0 0 0 0 4 35 1 0 0 0 0 4 42 1 0 0 0 0 5 40 1 0 0 0 0 5 48 1 0 0 0 0 6 43 1 0 0 0 0 6 53 1 0 0 0 0 44 7 1 6 0 0 0 7111 1 0 0 0 0 8 45 1 0 0 0 0 8114 1 0 0 0 0 46 9 1 6 0 0 0 9118 1 0 0 0 0 47 10 1 1 0 0 0 10119 1 0 0 0 0 49 11 1 6 0 0 0 11120 1 0 0 0 0 50 12 1 1 0 0 0 12121 1 0 0 0 0 54 13 1 6 0 0 0 13122 1 0 0 0 0 14 55 1 0 0 0 0 14123 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 6 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 6 0 0 0 16 19 1 0 0 0 0 16 23 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 18 58 1 6 0 0 0 19 25 1 0 0 0 0 19 27 1 0 0 0 0 19 59 1 1 0 0 0 20 22 1 0 0 0 0 20 29 1 0 0 0 0 20 33 1 1 0 0 0 21 26 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 26 1 0 0 0 0 22 28 1 0 0 0 0 22 34 1 6 0 0 0 23 30 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 25 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 31 1 0 0 0 0 27 36 1 0 0 0 0 27 37 1 0 0 0 0 28 32 1 0 0 0 0 28 35 1 0 0 0 0 28 69 1 1 0 0 0 29 32 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 31 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 74 1 0 0 0 0 32 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 35 38 1 0 0 0 0 35 39 1 1 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 38 41 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 44 1 0 0 0 0 40 94 1 0 0 0 0 41 42 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 42 45 1 0 0 0 0 42 97 1 1 0 0 0 43 46 1 0 0 0 0 43 98 1 0 0 0 0 44 47 1 0 0 0 0 44 99 1 0 0 0 0 45 51 1 0 0 0 0 45 52 1 0 0 0 0 46 50 1 0 0 0 0 46100 1 0 0 0 0 47 49 1 0 0 0 0 47101 1 0 0 0 0 48 49 1 0 0 0 0 48 55 1 1 0 0 0 48102 1 0 0 0 0 49103 1 0 0 0 0 50 54 1 0 0 0 0 50104 1 0 0 0 0 51105 1 0 0 0 0 51106 1 0 0 0 0 51107 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 52110 1 0 0 0 0 53 54 1 0 0 0 0 53112 1 0 0 0 0 53113 1 0 0 0 0 54115 1 0 0 0 0 55116 1 0 0 0 0 55117 1 0 0 0 0 M END > 13943297 > 1 > 1460 > 14 > 9 > 7 > AAADcfB8PAAAAAAAAAAAAAAAGAAAAaIAAAA0aMECBgAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHA4PwPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > (2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol > (2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyl-2-oxolanyl]-7,7,12,16-tetramethyl-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > (2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > (2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R,5S)-2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]-14-oxidanyl-6-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol > (2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol > InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,37+,38-,39+,40-,41+/m0/s1 > QMNWISYXSJWHRY-YLNUDOOFSA-N > 1.3 > 784.46090684 > C41H68O14 > 785.0 > CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C > C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O > 228 > 784.46090684 > 0 > 55 > 21 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 25 1 5 40 1 5 47 10 5 49 11 6 50 12 5 54 13 6 15 17 6 16 17 6 18 58 6 19 59 5 31 2 6 43 2 5 20 33 5 22 34 6 28 69 5 32 3 6 35 39 5 42 97 5 48 55 5 44 7 6 46 9 6 $$$$