Marvin 07021314122D 108118 0 0 0 0 999 V2000 -2.2089 -2.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6173 -2.1593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0303 -2.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 2.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6957 1.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1081 2.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3257 -0.9258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3257 -1.7508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6137 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9016 -0.9258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9051 -1.7508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1962 -2.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1892 -0.5139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4797 -0.9343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4629 0.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1839 0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2467 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2329 -0.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9334 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6521 -0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9611 0.6928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6616 0.2657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3778 0.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3994 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9765 1.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0415 -0.5153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0397 -2.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9089 -0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4879 -0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2247 -1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4939 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9351 -1.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3708 -0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -0.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 0.2638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6238 -3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3838 -2.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0815 -1.3863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0745 -2.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7837 -2.6246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5020 -2.2178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5064 -1.3917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7927 -0.9726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7944 -0.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2236 -0.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2137 -2.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 -3.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5098 0.2637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2204 -0.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9337 0.2553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9396 1.0808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2260 1.4970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5066 1.0877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7926 1.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2305 2.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6566 1.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6459 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3687 1.0725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3604 0.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0684 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7877 0.2369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7946 1.0630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0819 1.4842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0861 2.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5129 1.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4984 -0.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4905 -1.0075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7714 -1.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7616 -2.2300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4704 -2.6532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1906 -2.2488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2022 -1.4211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9202 -1.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8998 -2.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4594 -3.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0416 -2.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3327 -2.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7548 -1.7529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7538 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4649 -0.5177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1813 -0.9278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1821 -1.7539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4665 -2.1699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4651 -2.9949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8974 -2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8949 -0.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4631 0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7474 0.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2080 -3.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9198 -3.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -3.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9141 -4.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 -2.5718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1963 -1.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -0.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7592 -2.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5045 -0.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3631 1.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7715 -0.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1968 -5.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4866 -4.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7697 -5.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7636 -5.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4804 -6.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1943 -5.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 -6.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3346 -5.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6258 -5.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 2 0 0 0 0 1 37 1 0 0 0 0 2 1 1 6 0 0 0 8 2 1 0 0 0 0 2 11 1 0 0 0 0 2 3 1 0 0 0 0 5 4 1 0 0 0 0 24 5 1 0 0 0 0 5 25 1 0 0 0 0 6 5 1 0 0 0 0 7 26 1 1 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 8 27 1 1 0 0 0 10 9 1 0 0 0 0 10 28 1 1 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 93 1 6 0 0 0 11 12 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 94 1 6 0 0 0 31 14 1 0 0 0 0 14 29 1 1 0 0 0 14 18 1 0 0 0 0 17 15 2 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 30 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 21 95 1 1 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 1 0 0 0 23 24 1 0 0 0 0 78 27 1 0 0 0 0 30 32 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 38 34 1 1 0 0 0 38 39 1 0 0 0 0 38 43 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 47 1 1 0 0 0 41 42 1 0 0 0 0 41 46 1 1 0 0 0 42 43 1 0 0 0 0 42 45 1 1 0 0 0 43 44 1 6 0 0 0 48 44 1 0 0 0 0 46 89 1 0 0 0 0 48 53 1 0 0 0 0 48 97 1 6 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 57 1 6 0 0 0 51 52 1 0 0 0 0 51 56 1 1 0 0 0 52 53 1 0 0 0 0 52 55 1 6 0 0 0 53 54 1 6 0 0 0 58 56 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 58 98 1 6 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 66 1 6 0 0 0 62 63 1 0 0 0 0 62 65 1 1 0 0 0 63 64 1 6 0 0 0 67 66 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 67 99 1 6 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 76 1 1 0 0 0 70 71 1 0 0 0 0 70 75 1 1 0 0 0 71 72 1 0 0 0 0 71 74 1 1 0 0 0 72 73 1 6 0 0 0 76 77 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 78 96 1 6 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 87 1 1 0 0 0 81 82 1 0 0 0 0 81 86 1 6 0 0 0 82 83 1 0 0 0 0 82 85 1 1 0 0 0 83 84 1 6 0 0 0 87 88 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 90 92 2 0 0 0 0 92100 1 0 0 0 0 92108 1 4 0 0 0 100101 2 0 0 0 0 105100 1 0 0 0 0 101102 1 0 0 0 0 102103 2 0 0 0 0 103104 1 0 0 0 0 103106 1 0 0 0 0 104105 2 0 0 0 0 106107 1 0 0 0 0 M END > CHEBI:74448 > senegasaponin b > A triterpenoid saponin isolated from Polygala senega var latifolia and has been shown to exhibit hypoglycemic activity. > 3 > beta-D-galactopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(2beta,3beta)-3-(beta-D-glucopyranosyloxy)-2,23,27-trihydroxy-23,28-dioxoolean-12-en-28-yl]-4-O-[3-(4-methoxyphenyl)prop-2-enoyl]-beta-D-galactopyranose > C69H102O31 > 1427.52960 > 1426.64051 > 0 > [H]C(=CC(=O)O[C@H]1[C@@H](C)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(CO)CC3)[C@H](O[C@]2([H])O[C@@H](C)[C@H](O[C@]3([H])OC[C@@H](O[C@]4([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H]1O)c1ccc(OC)cc1 > InChI=1S/C69H102O31/c1-29-53(97-57-48(81)44(77)38(27-90-57)95-59-49(82)45(78)42(75)36(25-70)93-59)47(80)51(84)58(91-29)98-55-52(85)54(96-41(74)16-11-31-9-12-32(89-8)13-10-31)30(2)92-61(55)100-63(88)68-20-19-64(3,4)23-34(68)33-14-15-39-65(5)24-35(73)56(99-60-50(83)46(79)43(76)37(26-71)94-60)67(7,62(86)87)40(65)17-18-66(39,6)69(33,28-72)22-21-68/h9-14,16,29-30,34-40,42-61,70-73,75-85H,15,17-28H2,1-8H3,(H,86,87)/t29-,30+,34-,35-,36+,37+,38+,39+,40+,42-,43+,44-,45-,46-,47-,48+,49+,50+,51+,52-,53-,54-,55+,56-,57-,58-,59-,60-,61-,65+,66+,67-,68-,69-/m0/s1 > FVWWKTQCICTOAX-XLWXACFGSA-N > 8582013 $$$$