31339 -OEChem-05102422082D 121122 0 1 0 0 0 0 0999 V2000 7.4645 0.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0192 1.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8027 2.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0530 -1.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8506 3.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0797 2.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 4.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7019 -2.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1354 3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 0.3853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0199 1.1733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4607 2.0023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4994 1.7267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -1.0544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -2.0544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -2.5544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -2.0544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1922 -0.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7114 2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5492 1.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6290 3.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5486 1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3951 4.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8410 -1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0626 3.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0785 2.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0180 1.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3348 4.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2214 5.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2017 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7682 -1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4137 5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1289 5.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2819 0.6114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0760 2.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 1.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7819 -0.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4833 0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1217 2.5339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 1.7949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2575 2.4990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8700 4.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6043 2.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4070 3.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5527 3.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4706 0.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3091 0.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5655 1.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1227 3.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9174 4.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5468 4.8102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8320 5.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1138 6.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6108 5.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6903 4.5568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 -5.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 -5.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -4.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -3.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0005 -2.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3431 -1.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5360 -0.8869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -5.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -5.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -6.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -6.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -5.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7954 6.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9252 5.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 5.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3612 4.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7038 5.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8967 5.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 2.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 2.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 1.6732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 20 2 1 6 0 0 0 24 2 1 6 0 0 0 3 24 1 0 0 0 0 3 29 1 0 0 0 0 21 4 1 6 0 0 0 4 32 1 0 0 0 0 22 5 1 1 0 0 0 5 33 1 0 0 0 0 25 6 1 6 0 0 0 6 35 1 0 0 0 0 26 7 1 1 0 0 0 7 37 1 0 0 0 0 27 8 1 6 0 0 0 8 38 1 0 0 0 0 9 28 1 0 0 0 0 9 40 1 0 0 0 0 10 30 1 0 0 0 0 10 42 1 0 0 0 0 11 31 1 0 0 0 0 11 49 1 0 0 0 0 12 32 2 0 0 0 0 13 33 2 0 0 0 0 14 35 2 0 0 0 0 15 37 2 0 0 0 0 16 38 2 0 0 0 0 17 40 2 0 0 0 0 18 42 2 0 0 0 0 19 49 2 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 61 1 0 0 0 0 23 30 1 6 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 26 65 1 0 0 0 0 27 29 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 31 1 1 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 34 1 0 0 0 0 33 36 1 0 0 0 0 34 44 1 0 0 0 0 34 45 1 0 0 0 0 34 74 1 0 0 0 0 35 39 1 0 0 0 0 36 46 1 0 0 0 0 36 47 1 0 0 0 0 36 75 1 0 0 0 0 37 41 1 0 0 0 0 38 43 1 0 0 0 0 39 50 1 0 0 0 0 39 51 1 0 0 0 0 39 76 1 0 0 0 0 40 52 1 0 0 0 0 41 53 1 0 0 0 0 41 54 1 0 0 0 0 41 77 1 0 0 0 0 42 48 1 0 0 0 0 43 55 1 0 0 0 0 43 56 1 0 0 0 0 43 78 1 0 0 0 0 44 79 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 46 85 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 47 88 1 0 0 0 0 47 89 1 0 0 0 0 47 90 1 0 0 0 0 48 57 1 0 0 0 0 48 58 1 0 0 0 0 48 91 1 0 0 0 0 49 59 1 0 0 0 0 50 92 1 0 0 0 0 50 93 1 0 0 0 0 50 94 1 0 0 0 0 51 95 1 0 0 0 0 51 96 1 0 0 0 0 51 97 1 0 0 0 0 52 98 1 0 0 0 0 52 99 1 0 0 0 0 52100 1 0 0 0 0 53101 1 0 0 0 0 53102 1 0 0 0 0 53103 1 0 0 0 0 54104 1 0 0 0 0 54105 1 0 0 0 0 54106 1 0 0 0 0 55107 1 0 0 0 0 55108 1 0 0 0 0 55109 1 0 0 0 0 56110 1 0 0 0 0 56111 1 0 0 0 0 56112 1 0 0 0 0 57113 1 0 0 0 0 57114 1 0 0 0 0 57115 1 0 0 0 0 58116 1 0 0 0 0 58117 1 0 0 0 0 58118 1 0 0 0 0 59119 1 0 0 0 0 59120 1 0 0 0 0 59121 1 0 0 0 0 M END > 31339 > 1 > 1500 > 19 > 0 > 27 > AAADcfB8PgAAAAAAAAAAAAAAAAAAASAAAAAkAAAAAAAAAAAAAAAAGgAAAAAADRSwgAMCCAAABAAIAACQCAAAAAAAAAAAAAEAAAARAAIAAAAiAAAFAAAGAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3R,4S,5S)-5-(acetoxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetoxymethyl)-3,4,5-tris(2-methylpropanoyloxy)tetrahydropyran-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2-methylpropanoate > 2-methylpropanoic acid [(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methyl-1-oxopropoxy)-2-oxanyl]oxy]-3,4-bis(2-methyl-1-oxopropoxy)-2-oxolanyl]methyl ester > [(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate > [(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate > [(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate > 2-methylpropionic acid [(2R,3R,4S,5S)-5-(acetoxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetoxymethyl)-3,4,5-triisobutyryloxy-tetrahydropyran-2-yl]oxy-3,4-diisobutyryloxy-tetrahydrofuran-2-yl]methyl ester > InChI=1S/C40H62O19/c1-18(2)33(43)50-16-27-29(54-35(45)20(5)6)32(57-38(48)23(11)12)40(58-27,17-51-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3/t26-,27-,28-,29-,30+,31-,32+,39-,40+/m1/s1 > UVGUPMLLGBCFEJ-SWTLDUCYSA-N > 5.3 > 846.38852974 > C40H62O19 > 846.9 > CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C > CC(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(COC(=O)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C > 238 > 846.38852974 > 0 > 59 > 9 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 20 2 6 24 2 6 23 30 6 29 31 5 21 4 6 22 5 5 25 6 6 26 7 5 27 8 6 $$$$