68009873 -OEChem-04242420382D 124130 0 1 0 0 0 0 0999 V2000 6.8671 -2.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 2.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3882 7.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -8.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -8.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7681 2.5693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8920 1.0244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9040 2.0659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7643 3.5693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7920 0.5001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6801 2.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8046 -0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6921 1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8963 4.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8762 5.1074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7722 5.6386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6723 4.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6763 5.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0361 2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7522 2.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 -0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 1.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7497 3.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0322 3.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9223 5.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7764 6.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9014 6.7091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8046 -0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 -1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8347 7.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 6.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 6.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 7.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -3.6310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8747 8.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.1310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.6310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -3.6310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.1310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -5.6310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -6.6310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -6.6310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -7.1310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -7.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6385 1.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5314 0.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2921 1.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8824 2.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9079 0.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3017 1.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1502 4.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8791 3.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2836 4.1834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7398 1.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 0.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2868 5.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8876 5.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4046 -1.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8623 2.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3624 2.8567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6422 3.3569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3199 -0.4717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7137 -1.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 2.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 1.8398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6444 2.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3607 3.2941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 4.0104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 3.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 5.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 5.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3869 6.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9877 7.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8094 -1.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4246 -0.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7998 0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7767 -1.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6254 -1.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -1.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 7.7399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4319 7.7338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9486 5.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1657 6.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 6.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 7.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2816 6.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9111 6.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4164 8.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1764 8.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 8.7426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -4.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -5.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -6.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -8.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -8.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30 1 1 1 0 0 0 1 46 1 0 0 0 0 2 31 2 0 0 0 0 3 46 1 0 0 0 0 3 50 1 0 0 0 0 4 45 2 0 0 0 0 47 5 1 6 0 0 0 53 5 1 1 0 0 0 49 6 1 1 0 0 0 6113 1 0 0 0 0 51 7 1 6 0 0 0 7114 1 0 0 0 0 8 53 1 0 0 0 0 8 56 1 0 0 0 0 9 52 1 0 0 0 0 9116 1 0 0 0 0 10 52 1 0 0 0 0 10117 1 0 0 0 0 54 11 1 6 0 0 0 11121 1 0 0 0 0 55 12 1 1 0 0 0 12122 1 0 0 0 0 57 13 1 6 0 0 0 13123 1 0 0 0 0 14 58 1 0 0 0 0 14124 1 0 0 0 0 15 58 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 16 32 1 1 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 28 1 0 0 0 0 17 34 1 1 0 0 0 18 31 1 0 0 0 0 18 59 1 6 0 0 0 19 24 1 0 0 0 0 19 27 1 0 0 0 0 19 35 1 6 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 60 1 6 0 0 0 21 23 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 30 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 25 1 0 0 0 0 24 36 2 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 25 65 1 1 0 0 0 26 29 1 0 0 0 0 26 38 1 0 0 0 0 26 43 1 1 0 0 0 27 29 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 33 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 33 1 0 0 0 0 30 72 1 0 0 0 0 31 36 1 0 0 0 0 32 73 1 0 0 0 0 32 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 34 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 84 1 0 0 0 0 37 39 1 0 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 38 42 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 39 42 1 0 0 0 0 39 44 1 6 0 0 0 39 45 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 43 99 1 0 0 0 0 44100 1 0 0 0 0 44101 1 0 0 0 0 44102 1 0 0 0 0 45 48 1 0 0 0 0 46 47 1 0 0 0 0 46103 1 0 0 0 0 47 49 1 0 0 0 0 47104 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 49 51 1 0 0 0 0 49108 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 1 0 0 0 50109 1 0 0 0 0 51110 1 0 0 0 0 52111 1 0 0 0 0 53 54 1 0 0 0 0 53112 1 0 0 0 0 54 55 1 0 0 0 0 54115 1 0 0 0 0 55 57 1 0 0 0 0 55118 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 1 0 0 0 56119 1 0 0 0 0 57120 1 0 0 0 0 M END > 68009873 > 1 > 1680 > 15 > 8 > 7 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAqDSCAIAAAAgAAAACAFAAEgREBYAAQQiQAAFoAAPAQPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (2S,3S,4S,5R,6R)-6-[(3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-acetyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-(dihydroxymethyl)-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[[(3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-acetyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-(dihydroxymethyl)-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid > (2S,3S,4S,5R,6R)-6-[(3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-acetyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-(dihydroxymethyl)-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[(3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-acetyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-(dihydroxymethyl)-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[(3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-ethanoyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-[bis(oxidanyl)methyl]-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[(3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-acetyl-14-keto-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-(dihydroxymethyl)-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C43H66O15/c1-19(44)40(5)14-13-39(4)15-16-42(7)20(21(39)18-40)17-22(45)33-41(6)11-10-24(38(2,3)23(41)9-12-43(33,42)8)55-37-32(28(49)27(48)31(57-37)35(53)54)58-36-29(50)25(46)26(47)30(56-36)34(51)52/h17,21,23-33,35-37,46-50,53-54H,9-16,18H2,1-8H3,(H,51,52)/t21-,23-,24-,25-,26-,27-,28-,29+,30-,31-,32+,33+,36-,37?,39+,40-,41-,42+,43+/m0/s1 > ZWBLFBDDKGJYAH-UHLNGNCOSA-N > 3.1 > 822.44017139 > C43H66O15 > 823.0 > CC(=O)C1(CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)C)C2C1)C)C)C > CC(=O)[C@]1(CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC6[C@@H]([C@H]([C@@H]([C@H](O6)C(O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)C)[C@@H]2C1)C)C)C > 250 > 822.44017139 > 0 > 58 > 18 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 30 1 5 46 1 3 54 11 6 55 12 5 57 13 6 16 32 5 17 34 5 18 59 6 19 35 6 20 60 6 25 65 5 26 43 5 39 44 6 47 5 6 53 5 5 50 52 5 56 58 5 49 6 5 51 7 6 $$$$