Marvin 01171313442D 55 61 0 0 0 0 999 V2000 5.6164 -2.2739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9041 -2.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9051 -3.5095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1921 -3.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1912 -4.7400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9026 -5.1544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6168 -4.7433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6194 -3.9175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3319 -3.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3287 -5.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9006 -5.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4774 -5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6115 -1.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3294 -2.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3197 -1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0372 -1.4405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0465 -2.2701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7655 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4799 -2.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7469 -1.0155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4703 -1.4280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4597 0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7385 -0.1851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1831 -0.1781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1853 -1.0073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9744 -1.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4604 -0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9711 0.0801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7402 -1.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0293 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1786 0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4635 -0.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1786 -1.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2234 0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0049 1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0028 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2194 2.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7374 1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9630 2.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0230 0.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0418 -3.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3128 -0.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1868 -6.3874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4777 -5.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -6.3786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7597 -7.2020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4713 -7.6175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1892 -7.2096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9012 -7.6226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 -8.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0443 -7.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 -5.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -5.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 -5.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -3.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 24 1 0 0 0 0 5 6 1 0 0 0 0 20 29 1 6 0 0 0 13 15 1 0 0 0 0 16 30 1 1 0 0 0 1 14 1 0 0 0 0 24 31 1 1 0 0 0 14 17 1 0 0 0 0 21 32 1 1 0 0 0 16 15 1 0 0 0 0 25 33 1 1 0 0 0 16 17 1 0 0 0 0 28 34 1 1 0 0 0 34 35 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 34 2 0 0 0 0 16 20 1 0 0 0 0 37 39 2 0 0 0 0 17 18 1 0 0 0 0 23 40 1 6 0 0 0 18 19 1 0 0 0 0 17 41 1 1 0 0 0 19 21 1 0 0 0 0 30 42 2 0 0 0 0 20 21 1 0 0 0 0 11 43 1 0 0 0 0 43 44 1 0 0 0 0 3 2 1 0 0 0 0 7 10 1 6 0 0 0 3 4 1 0 0 0 0 6 11 1 6 0 0 0 20 23 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 21 25 1 0 0 0 0 48 49 1 6 0 0 0 24 22 1 0 0 0 0 47 50 1 6 0 0 0 22 23 1 0 0 0 0 46 51 1 6 0 0 0 24 25 1 0 0 0 0 45 52 1 1 0 0 0 1 2 1 1 0 0 0 52 53 1 0 0 0 0 5 12 1 1 0 0 0 43 54 1 6 0 0 0 13 1 1 0 0 0 0 3 55 1 6 0 0 0 M END > CHEBI:65831 > elaeodendroside W > A cardenolide glycoside that is 3,5,11,14-tetrahydroxy-19-oxocard-20(22)-enolide glycosylated at position 3 by a β-allosyl-(1→4)-β-6-deoxyallosyl group. Isolated from Elaeodendron alluaudianum, it exhibits antiproliferative activity against human ovarian cancer and human histiocytic lymphoma cell lines. > 3 > sarmentosigenin-3beta-O-[beta-allosyl-(1->4)-beta-6-deoxyalloside] > (3beta,5beta,11alpha)-3-{[4-O-(beta-D-allopyranosyl)-6-deoxy-beta-D-allopyranosyl]oxy}-5,11,14-trihydroxy-19-oxocard-20(22)-enolide > C35H52O16 > 728.77780 > 728.32554 > 0 > [H][C@@]1(O[C@H]2CC[C@]3(C=O)[C@@]4([H])[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@]4([H])CC[C@]3(O)C2)C2=CC(=O)OC2)O[C@H](C)[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O > InChI=1S/C35H52O16/c1-15-29(51-31-27(43)25(41)24(40)21(12-36)50-31)26(42)28(44)30(48-15)49-17-3-6-33(14-37)23-19(4-7-34(33,45)10-17)35(46)8-5-18(16-9-22(39)47-13-16)32(35,2)11-20(23)38/h9,14-15,17-21,23-31,36,38,40-46H,3-8,10-13H2,1-2H3/t15-,17+,18-,19-,20-,21-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32-,33+,34+,35+/m1/s1 > XPFIWTDYADXSKF-PCUDRXQQSA-N > 19417814 > 19058971 $$$$