10677946 CDK 0512222200 94102 0 0 0 0 0 0 0 0999 V2000 4.1727 4.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9151 6.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4128 7.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4004 5.9466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3633 -0.9515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4582 3.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -3.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6295 7.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 7.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -3.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -3.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0942 -1.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -0.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -3.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -3.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -5.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2376 -3.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2376 -1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -6.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -5.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -6.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -6.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -8.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -8.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -8.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6364 2.3556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3492 1.9403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6396 3.1805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3592 1.0811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6166 0.6485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8840 1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3556 3.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3722 4.4495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6330 4.8878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8904 3.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8741 1.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 2.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6063 -0.2465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8871 4.4609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1429 0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 2.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0685 3.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1591 4.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6295 5.7829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8265 3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -0.6971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0721 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 -0.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1764 5.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4064 6.2274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9233 5.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1883 -0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7813 -0.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0013 5.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 6.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -1.9346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4582 4.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9151 7.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -2.7596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1304 7.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7438 4.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -3.1721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2006 7.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -1.9346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2363 -2.7596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1368 8.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0942 -2.7596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5219 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4255 8.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8544 8.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -4.4096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8087 -3.1721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2363 -5.2346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5657 8.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -2.7596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8087 -1.5221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5232 -1.9346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5219 -5.6471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8075 -4.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -5.2346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8087 -0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -6.4721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6653 -6.8846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6653 -7.7096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2363 -7.7096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9508 -8.1221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5219 -8.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9579 1.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0066 0.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9712 4.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 43 1 1 1 0 0 0 1 61 1 0 0 0 0 50 2 1 6 0 0 0 60 2 1 1 0 0 0 48 3 1 1 0 0 0 3 62 1 0 0 0 0 54 4 1 6 0 0 0 4 64 1 0 0 0 0 5 55 1 0 0 0 0 6 57 2 0 0 0 0 7 60 1 0 0 0 0 7 68 1 0 0 0 0 8 61 2 0 0 0 0 63 9 1 6 0 0 0 71 9 1 6 0 0 0 10 62 2 0 0 0 0 11 64 2 0 0 0 0 66 12 1 1 0 0 0 75 12 1 1 0 0 0 69 13 1 6 0 0 0 14 71 1 0 0 0 0 14 80 1 0 0 0 0 15 72 1 0 0 0 0 16 72 2 0 0 0 0 17 75 1 0 0 0 0 17 83 1 0 0 0 0 76 18 1 1 0 0 0 77 19 1 6 0 0 0 86 19 1 1 0 0 0 79 20 1 6 0 0 0 81 21 1 6 0 0 0 82 22 1 1 0 0 0 84 23 1 1 0 0 0 24 85 1 0 0 0 0 25 86 1 0 0 0 0 25 89 1 0 0 0 0 87 26 1 6 0 0 0 88 27 1 1 0 0 0 90 28 1 6 0 0 0 29 91 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 0 0 0 0 30 45 1 6 0 0 0 31 33 1 0 0 0 0 31 41 1 0 0 0 0 31 92 1 1 0 0 0 32 36 1 0 0 0 0 32 39 1 0 0 0 0 32 49 1 1 0 0 0 33 34 1 0 0 0 0 33 44 1 0 0 0 0 33 51 1 6 0 0 0 34 40 1 0 0 0 0 34 42 1 0 0 0 0 34 93 1 1 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 46 2 0 0 0 0 37 38 1 0 0 0 0 37 47 1 0 0 0 0 37 94 1 6 0 0 0 38 43 1 0 0 0 0 38 48 1 0 0 0 0 38 55 1 6 0 0 0 39 43 1 0 0 0 0 41 46 1 0 0 0 0 42 50 1 0 0 0 0 42 56 1 6 0 0 0 42 57 1 0 0 0 0 44 52 1 0 0 0 0 47 53 1 0 0 0 0 48 54 1 0 0 0 0 50 52 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 53 59 1 0 0 0 0 60 63 1 0 0 0 0 61 65 1 0 0 0 0 62 67 1 0 0 0 0 63 66 1 0 0 0 0 64 70 1 0 0 0 0 66 69 1 0 0 0 0 68 69 1 0 0 0 0 68 72 1 1 0 0 0 70 73 1 0 0 0 0 70 74 2 0 0 0 0 71 76 1 0 0 0 0 74 78 1 0 0 0 0 75 77 1 0 0 0 0 76 79 1 0 0 0 0 77 82 1 0 0 0 0 79 81 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 6 0 0 0 82 84 1 0 0 0 0 83 84 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 90 1 0 0 0 0 89 90 1 0 0 0 0 89 91 1 1 0 0 0 M END > CHEBI:191660 > Assamsaponin F > 2 > (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-4-ormyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid > C62H94O29 > 1303.405 > 1302.58808 > 0 > O([C@H]1[C@@]2([C@](C=3[C@]([C@]4([C@@]([C@@]5([C@@](CC4)([C@]([C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)[C@H]6O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO)C(O)=O)CC5)(C)C=O)[H])C)(CC3)[H])C)(C1)C)(CC([C@@H](OC(=O)/C(/C)=C\C)[C@@H]2OC(=O)C)(C)C)[H])CO)C(=O)C > InChI=1S/C62H94O29/c1-11-25(2)52(80)91-49-50(83-27(4)68)62(24-66)29(18-57(49,5)6)28-12-13-34-58(7)16-15-35(59(8,23-65)33(58)14-17-60(34,9)61(28,10)19-36(62)82-26(3)67)86-56-48(90-54-43(76)41(74)39(72)32(21-64)85-54)45(44(77)46(88-56)51(78)79)87-55-47(37(70)30(69)22-81-55)89-53-42(75)40(73)38(71)31(20-63)84-53/h11-12,23,29-50,53-56,63-64,66,69-77H,13-22,24H2,1-10H3,(H,78,79)/b25-11-/t29-,30-,31+,32+,33+,34+,35-,36+,37-,38+,39-,40-,41-,42+,43+,44-,45-,46-,47+,48+,49-,50-,53-,54-,55-,56+,58-,59-,60+,61+,62-/m0/s1 > BJFNIGZQPQQAFL-UTPDYZQNSA-N $$$$