59897258 -OEChem-05191303222D 117123 0 1 0 0 0 0 0999 V2000 8.0679 -1.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8629 2.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2077 0.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7509 4.7789 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.2410 5.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -2.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -1.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 0.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -2.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2154 2.1703 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4834 2.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -4.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5884 -5.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -4.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8096 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8718 -1.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 0.2193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8189 0.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7289 0.7193 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.4610 0.7193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8109 -0.8291 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6110 -0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8755 -1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7130 -1.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4610 1.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3549 2.2540 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.2610 1.7401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3549 0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8921 0.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2610 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9359 -0.8363 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7289 1.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2378 -0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9442 0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8267 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8031 -0.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 2.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3299 3.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2048 2.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2610 3.8956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3788 -2.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3788 -2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2048 3.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1309 1.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7510 4.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7510 4.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2038 -0.8297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3359 -1.3263 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4718 -0.8230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3436 0.6737 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4756 0.1770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -2.8230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3474 1.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 -3.8230 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5923 -4.3196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -2.8163 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7282 -3.8163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8680 -2.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2659 1.0293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8133 -1.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8291 -1.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2202 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0 0 0 14.3857 -0.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 2.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1074 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7216 3.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4138 1.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8156 2.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8431 -2.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8407 -1.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0709 -2.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6909 -2.7787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9146 -1.9309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9170 -2.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8156 3.2543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4138 3.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8250 0.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6702 0.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4367 1.7861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2843 5.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4348 5.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2177 4.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2014 -1.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7978 -1.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4694 -1.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8817 0.9816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -0.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4665 -2.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0681 -1.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0734 0.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4578 -4.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -4.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -2.1963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 -4.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3219 -4.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0503 -5.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -4.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 47 1 1 1 0 0 0 2 32 2 0 0 0 0 3 47 1 0 0 0 0 3 50 1 0 0 0 0 4 46 1 0 0 0 0 5 46 2 0 0 0 0 6 48 1 0 0 0 0 52 6 1 1 0 0 0 49 7 1 1 0 0 0 7109 1 0 0 0 0 51 8 1 1 0 0 0 8110 1 0 0 0 0 9 52 1 0 0 0 0 9 56 1 0 0 0 0 10 53 1 0 0 0 0 11 53 2 0 0 0 0 12 54 1 0 0 0 0 12115 1 0 0 0 0 55 13 1 1 0 0 0 13116 1 0 0 0 0 57 14 1 1 0 0 0 14117 1 0 0 0 0 15 58 1 0 0 0 0 16 58 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 1 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 29 1 0 0 0 0 18 35 1 1 0 0 0 19 32 1 0 0 0 0 19 59 1 0 0 0 0 20 25 1 0 0 0 0 20 28 1 0 0 0 0 20 36 1 6 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 60 1 0 0 0 0 22 24 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 31 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 37 2 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 65 1 0 0 0 0 27 30 1 0 0 0 0 27 39 1 0 0 0 0 27 44 1 1 0 0 0 28 30 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 34 1 0 0 0 0 29 68 1 0 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 34 1 0 0 0 0 31 72 1 0 0 0 0 32 37 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 37 84 1 0 0 0 0 38 40 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 43 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 40 43 1 0 0 0 0 40 45 1 6 0 0 0 40 46 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 41 94 1 0 0 0 0 42 89 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 43 95 1 0 0 0 0 43 96 1 0 0 0 0 44 97 1 0 0 0 0 44 98 1 0 0 0 0 44 99 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 45102 1 0 0 0 0 47 48 1 0 0 0 0 47103 1 0 0 0 0 48 49 1 0 0 0 0 48104 1 0 0 0 0 49 51 1 0 0 0 0 49105 1 0 0 0 0 50 51 1 0 0 0 0 50 53 1 0 0 0 0 50106 1 0 0 0 0 51107 1 0 0 0 0 52 54 1 0 0 0 0 52108 1 0 0 0 0 54 55 1 0 0 0 0 54111 1 0 0 0 0 55 57 1 0 0 0 0 55112 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 56113 1 0 0 0 0 57114 1 0 0 0 0 M CHG 3 4 -1 10 -1 15 -1 M END > 59897258 > 1 > 1710 > 16 > 5 > 4 > AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAqDSCAIAAAAgAAAACAFAAEgREBYAAQQiQAAFoAAPAQPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (3R,4S,6R)-6-[(2R,4S,5R)-2-[[(6aR,6bS,8aS,11S,14bS)-11-carboxylato-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-carboxylato-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate > (3R,4S,6R)-6-[[(2R,4S,5R)-2-[[(6aR,6bS,8aS,11S,14bS)-11-carboxylato-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-carboxylato-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylate > (3R,4S,6R)-6-[(2R,4S,5R)-2-[[(6aR,6bS,8aS,11S,14bS)-11-carboxylato-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-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate > (3R,4S,6R)-6-[(2R,4S,5R)-2-[[(6aR,6bS,8aS,11S,14bS)-11-carboxylato-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-carboxylato-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate > (3R,4S,6R)-6-[(2R,4S,5R)-2-[[(6aR,6bS,8aS,11S,14bS)-11-carboxylato-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-carboxylato-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate > InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/p-3/t19?,21?,22?,23-,24+,25+,26-,27?,28?,29?,30?,31?,34-,35+,38+,39-,40-,41+,42+/m0/s1 > LPLVUJXQOOQHMX-MDUWIPGKSA-K > 5.7 > 819.380311 > C42H59O16-3 > 819.90826 > CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)[O-])C)C)C)C > C[C@]12CC[C@](CC1C3=CC(=O)C4[C@]5(CCC(C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6C([C@H]([C@H](C(O6)C(=O)[O-])O)O)O[C@H]7C([C@H]([C@H](C(O7)C(=O)[O-])O)O)O)C)(C)C(=O)[O-] > 276 > 819.380311 > -3 > 58 > 11 > 8 > 0 > 0 > 0 > 1 > 5 > 1 5 255 > 31 1 3 47 1 5 54 12 3 55 13 5 57 14 5 17 33 5 18 35 5 19 32 3 20 36 6 21 23 3 26 38 3 27 44 5 40 45 6 50 53 3 56 58 3 48 6 3 52 6 5 49 7 5 51 8 5 $$$$