CDK 1018121544 94103 0 0 0 0 0 0 0 0999 V2000 3.4691 -15.7797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0365 -16.6001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1124 -17.0166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0365 -15.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3202 -17.0166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6060 -16.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6837 -13.8390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9674 -15.9005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7528 -15.3632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6837 -14.6678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8204 -18.2535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9652 -17.8370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6122 -16.6001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1124 -17.8370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1038 -13.8390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6774 -18.2535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3917 -13.4309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9608 -13.8390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2487 -13.4309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2511 -16.3128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3895 -17.8370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5367 -17.8370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5365 -13.8390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3934 -13.8390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9674 -15.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9652 -17.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4691 -16.6001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1430 -13.5017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3917 -15.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5390 -15.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6970 -14.1181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2447 -18.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8202 -13.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6813 -13.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3895 -17.0166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7528 -17.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6837 -16.3128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3202 -15.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8204 -16.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6774 -16.6001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1038 -14.6678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4767 -14.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2511 -17.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5365 -14.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5367 -17.0166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3202 -17.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6122 -15.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9674 -13.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1771 -15.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6122 -18.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9608 -14.6678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6837 -17.1416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7528 -14.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2847 -14.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9633 -12.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 -17.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2487 -15.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9674 -17.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4691 -14.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6795 -12.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6774 -19.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2487 -12.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -12.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1100 -18.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3632 -14.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1771 -14.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3180 -12.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0365 -17.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 -18.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1100 -16.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -15.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1124 -16.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3535 -18.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3202 -16.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 -16.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2508 -13.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6813 -15.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -17.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6774 -15.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5747 -19.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0504 -13.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3895 -15.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8202 -15.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 -12.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9319 -13.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -13.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2552 -15.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1038 -13.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9608 -13.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9735 -18.6741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1041 -18.6366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1697 -14.7802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -17.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 -17.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 13 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 10 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 14 1 0 0 0 0 12 32 1 0 0 0 0 13 5 1 0 0 0 0 14 50 1 0 0 0 0 15 41 1 0 0 0 0 16 12 1 0 0 0 0 17 7 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 16 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 15 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 16 61 1 6 0 0 0 19 62 1 6 0 0 0 17 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 15 88 1 6 0 0 0 18 89 1 6 0 0 0 12 90 1 6 0 0 0 14 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 13 1 0 0 0 0 58 52 1 0 0 0 0 3 14 1 0 0 0 0 22 45 1 0 0 0 0 17 15 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 13 93 1 6 0 0 0 2 36 1 0 0 0 0 27 94 1 6 0 0 0 M END > CHEBI:70442 > 2''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](O)[C@H]2OC(C)=O)[C@@]1(C)CO > InChI=1S/C59H94O28/c1-24-41(83-47-40(73)42(30(66)20-77-47)84-51-45(74)58(76,22-62)23-79-51)39(72)44(81-25(2)63)50(80-24)85-43-35(68)29(65)19-78-49(43)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 > VBEBKYZOUNIPAW-HGJHJUQKSA-N > 20939516 $$$$