CDK 1018121544 94103 0 0 0 0 0 0 0 0999 V2000 24.5977 -7.5425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1650 -8.3631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0159 -8.7795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1650 -7.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4486 -8.7795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7347 -8.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5206 -5.1936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.0962 -7.6634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.8814 -7.1261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.8126 -6.4305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3079 -10.0165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1630 -9.6001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.2328 -5.6018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.8126 -5.6018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7406 -8.3631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0159 -9.6001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4508 -10.0165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.0899 -5.6018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.3777 -5.1936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.3799 -8.0757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7386 -9.6001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5916 -9.6001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.6656 -5.6018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 34.5226 -5.6018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.0962 -6.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1630 -8.7795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5977 -8.3631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 35.2723 -5.2644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.5206 -6.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6677 -7.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8263 -5.8808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8836 -10.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9492 -5.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8104 -5.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7386 -8.7795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8814 -8.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8126 -8.0757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4486 -7.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3079 -8.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4508 -8.3631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.2328 -6.4305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.6059 -6.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3799 -8.9045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6656 -6.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5916 -8.7795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4486 -9.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7406 -7.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5206 -4.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3058 -7.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7406 -10.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0899 -6.4305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.8126 -8.9045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.8814 -6.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4139 -6.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2412 -3.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7347 -9.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3777 -6.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0962 -9.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5977 -5.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9617 -4.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0962 -5.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4508 -10.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3777 -4.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0181 -10.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.4926 -6.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3058 -6.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4472 -4.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1650 -9.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8410 -10.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0181 -8.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5206 -7.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0159 -7.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7748 -10.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4486 -7.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8836 -8.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3801 -5.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8104 -6.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5206 -9.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4508 -7.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5536 -11.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.1798 -5.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7386 -7.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9492 -6.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2412 -3.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0604 -5.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1267 -5.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3840 -7.2511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.2328 -4.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.0899 -4.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1547 -10.4372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2325 -10.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2983 -6.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7364 -9.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8101 -9.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 15 1 0 0 0 0 4 9 1 0 0 0 0 5 2 1 0 0 0 0 1 6 1 1 0 0 0 7 14 1 0 0 0 0 8 20 1 0 0 0 0 9 1 1 0 0 0 0 10 25 1 1 0 0 0 11 16 1 0 0 0 0 12 32 1 0 0 0 0 13 41 1 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 50 1 0 0 0 0 17 12 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 20 30 1 1 0 0 0 21 17 1 0 0 0 0 22 11 1 0 0 0 0 23 33 1 1 0 0 0 24 34 1 1 0 0 0 25 8 1 0 0 0 0 26 12 1 0 0 0 0 27 1 1 0 0 0 0 28 24 1 0 0 0 0 29 10 1 0 0 0 0 30 6 1 0 0 0 0 31 28 1 0 0 0 0 22 32 1 1 0 0 0 33 13 1 0 0 0 0 34 18 1 0 0 0 0 35 40 1 0 0 0 0 36 27 1 0 0 0 0 37 8 1 0 0 0 0 38 4 2 0 0 0 0 39 3 1 0 0 0 0 40 26 1 0 0 0 0 41 29 1 0 0 0 0 42 24 1 0 0 0 0 43 20 1 0 0 0 0 44 23 1 0 0 0 0 45 39 1 0 0 0 0 46 5 1 0 0 0 0 47 38 1 0 0 0 0 7 48 1 6 0 0 0 49 1 1 0 0 0 0 50 46 1 0 0 0 0 51 57 1 0 0 0 0 52 37 1 0 0 0 0 53 9 1 0 0 0 0 54 42 1 0 0 0 0 55 48 1 0 0 0 0 56 6 2 0 0 0 0 57 44 1 0 0 0 0 58 43 1 0 0 0 0 59 53 1 0 0 0 0 60 55 2 0 0 0 0 14 61 1 6 0 0 0 17 62 1 6 0 0 0 19 63 1 6 0 0 0 21 64 1 1 0 0 0 65 31 1 0 0 0 0 66 49 1 0 0 0 0 28 67 1 6 0 0 0 2 68 1 6 0 0 0 11 69 1 1 0 0 0 35 70 1 6 0 0 0 37 71 1 1 0 0 0 3 72 1 1 0 0 0 73 11 1 0 0 0 0 5 74 1 1 0 0 0 45 75 1 1 0 0 0 31 76 1 1 0 0 0 51 77 1 6 0 0 0 52 78 1 1 0 0 0 40 79 1 1 0 0 0 80 69 1 0 0 0 0 81 76 1 0 0 0 0 82 79 1 0 0 0 0 41 83 1 6 0 0 0 84 55 1 0 0 0 0 85 59 1 0 0 0 0 86 59 1 0 0 0 0 8 87 1 1 0 0 0 13 88 1 6 0 0 0 18 89 1 6 0 0 0 12 90 1 6 0 0 0 16 91 1 6 0 0 0 9 92 1 1 0 0 0 2 4 1 0 0 0 0 59 66 1 0 0 0 0 47 15 1 0 0 0 0 58 52 1 0 0 0 0 3 16 1 0 0 0 0 22 45 1 0 0 0 0 7 13 1 0 0 0 0 35 21 1 0 0 0 0 51 18 1 0 0 0 0 54 31 1 0 0 0 0 15 93 1 6 0 0 0 2 36 1 0 0 0 0 27 94 1 6 0 0 0 M END > CHEBI:70441 > 3''O-acetylpolygalacin D > A natural product found in Platycodon grandiflorum. > 2 > C59H94O28 > 1251.36090 > 1250.59316 > 0 > [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O)C[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)CC[C@@]4([C@H](O)C[C@@]32C)C(=O)O[C@@H]2OC[C@H](O)[C@H](O)[C@@]2([H])O[C@@H]2O[C@@H](C)[C@]([H])(O[C@@H]3OC[C@@H](O)[C@]([H])(O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]3O)[C@@H](OC(C)=O)[C@H]2O)[C@@]1(C)CO > InChI=1S/C59H94O28/c1-24-41(83-47-39(72)42(30(66)20-77-47)84-51-45(74)58(76,22-62)23-79-51)43(81-25(2)63)40(73)49(80-24)85-44-35(68)29(65)19-78-50(44)87-52(75)59-14-13-53(3,4)15-27(59)26-9-10-33-54(5)16-28(64)46(86-48-38(71)37(70)36(69)31(18-60)82-48)55(6,21-61)32(54)11-12-56(33,7)57(26,8)17-34(59)67/h9,24,27-51,60-62,64-74,76H,10-23H2,1-8H3/t24-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,49-,50-,51-,54-,55+,56+,57+,58+,59+/m0/s1 > PVYHFAATIMELDB-WGMQSPGRSA-N > 20939516 $$$$