23930388 CDK 1116211528 61 68 0 0 0 0 0 0 0 0999 V2000 4.1253 2.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5713 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1016 -1.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2857 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0002 4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4291 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4291 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7146 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8580 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8580 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4291 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0002 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5713 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0002 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5713 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1423 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1423 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1285 1.5897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8413 2.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5574 1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1317 0.7647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3065 2.0162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3098 2.8756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5606 0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 0.5103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8248 2.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 3.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 1.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0798 3.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 -0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3033 1.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8533 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8567 2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0987 -0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 -0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2857 2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3164 -1.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0002 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7146 2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0002 1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7146 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0002 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4291 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4291 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1436 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1436 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7146 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4291 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0002 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2857 -2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2857 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5713 -3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8567 -2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8567 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1423 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3045 3.5768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 1 0 0 0 37 2 1 1 0 0 0 41 2 1 1 0 0 0 3 39 1 0 0 0 0 3 42 1 0 0 0 0 4 41 1 0 0 0 0 4 45 1 0 0 0 0 5 42 2 0 0 0 0 43 6 1 1 0 0 0 44 7 1 6 0 0 0 7 49 1 0 0 0 0 46 8 1 1 0 0 0 48 8 1 1 0 0 0 9 48 1 0 0 0 0 9 52 1 0 0 0 0 50 10 1 6 0 0 0 51 11 1 1 0 0 0 53 12 1 6 0 0 0 13 54 1 0 0 0 0 55 13 1 1 0 0 0 14 55 1 0 0 0 0 14 58 1 0 0 0 0 56 15 1 6 0 0 0 57 16 1 1 0 0 0 59 17 1 6 0 0 0 18 60 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 22 34 1 1 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 23 35 1 1 0 0 0 24 30 1 0 0 0 0 24 33 1 0 0 0 0 24 61 1 1 0 0 0 25 26 1 0 0 0 0 27 31 1 0 0 0 0 27 38 1 6 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 46 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 6 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 53 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 59 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 1 0 0 0 M END > CHEBI:184001 > 3-[(3s,5r,10s,13r,14s,17s)-14-hydroxy-3-[(2r,3s,4s,5s,6s)-3-hydroxy-4-methoxy-6-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2h-furan-5-one > 2 > 3-[(3S,5R,10S,13R,14S,17S)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-uran-5-one > C42H66O18 > 858.972 > 858.42492 > 0 > O[C@@]12C3C([C@@]4([C@](CC3)(C[C@@H](O[C@@H]5O[C@H]([C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)[C@@H](OC)[C@@H]5O)C)CC4)[H])C)CC[C@@]1([C@@H](CC2)C=8COC(=O)C8)C > InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22-,23?,24?,25+,26+,28+,29+,30-,31-,32+,33+,34-,35-,36-,37+,38-,39-,40-,41+,42-/m0/s1 > GZVMBXDQUQRICT-OZPZHZNKSA-N $$$$