59897258 -OEChem-03282420162D 117123 0 1 0 0 0 0 0999 V2000 6.3301 -2.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6351 2.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3378 8.4410 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8513 7.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6310 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -8.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -8.1310 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -6.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2312 2.5693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3550 1.0244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3671 2.0659 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2273 3.5693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2551 0.5001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1431 2.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2677 -0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3594 4.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 5.1074 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2353 5.6386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1354 4.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1394 5.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1309 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4992 2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2153 2.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3926 -0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 1.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2128 3.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4953 3.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3854 5.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2395 6.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 6.7091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2676 -0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7743 -1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2978 7.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0955 6.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3646 6.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 7.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -3.6310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -4.1310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -2.6310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -3.6310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -5.1310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -2.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.6310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -6.6310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -6.6310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -7.1310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -7.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9028 1.7539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7944 0.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7552 1.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3454 2.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 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3.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7726 5.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 5.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8499 6.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4508 7.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2724 -1.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8876 -0.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2628 0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2398 -1.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0884 -1.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3088 -1.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6932 7.7399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8950 7.7338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4117 5.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6288 6.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7793 6.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 7.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7447 6.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 6.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -5.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -6.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -7.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -8.4410 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 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 42 94 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-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 > 819.38031079 > C42H59O16-3 > 819.9 > 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 > 819.38031079 > -3 > 58 > 11 > 8 > 0 > 0 > 0 > 1 > -1 > 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 24 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 $$$$