Mrv1909 11302218172D 57 64 0 0 1 0 999 V2000 -2.8579 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3570 -0.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8419 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 -1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6119 -2.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6586 -2.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 -7.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8743 -8.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 -8.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6131 -9.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5063 -8.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9543 -7.9099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0702 -0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5551 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0702 -1.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 5 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 21 27 1 0 0 0 0 15 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 28 31 2 0 0 0 0 10 31 1 0 0 0 0 9 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 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 39 1 0 0 0 0 35 39 1 0 0 0 0 39 40 2 0 0 0 0 32 40 1 0 0 0 0 41 33 1 0 0 0 0 2 41 1 0 0 0 0 41 42 1 6 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 45 44 1 0 0 0 0 45 46 1 6 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 49 48 1 0 0 0 0 49 50 1 6 0 0 0 49 51 1 0 0 0 0 52 51 1 0 0 0 0 52 45 1 0 0 0 0 52 53 1 1 0 0 0 52 54 1 0 0 0 0 54 55 1 1 0 0 0 54 56 1 0 0 0 0 56 43 1 0 0 0 0 56 57 1 6 0 0 0 M END > DB17255 > drugbank > [H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(OC(=O)OCC3COC(C)(C)O3)C(OC)=C1)C1=C(C=C3OCOC3=C1)[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O > InChI=1S/C36H42O17/c1-15-43-13-25-32(49-15)28(37)29(38)34(50-25)51-30-19-9-22-21(46-14-47-22)8-18(19)26(27-20(30)12-44-33(27)39)16-6-23(41-4)31(24(7-16)42-5)52-35(40)45-10-17-11-48-36(2,3)53-17/h6-9,15,17,20,25-30,32,34,37-38H,10-14H2,1-5H3/t15-,17?,20+,25-,26-,27+,28-,29-,30-,32-,34+/m1/s1 > FCWSQAKOPTZCOD-SQYSSJHTSA-N > C36H42O17 > 746.715 > 746.242199892 > 15 > 95 > 0.0004716841593472664 > 74.09599083013808 > 0 > 2 > 0 > 0 > 4-[(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-12-oxo-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-10-yl]-2,6-dimethoxyphenyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl carbonate > 1.88 > 2.072535551333332 > -3.58 > 1 > 0 > 8 > 0 > 13.893845274222647 > 12.275140563225825 > -3.5929929970839973 > 194.58999999999997 > 174.2581 > 10 > 0 > 1.94e-01 g/l > 4-[(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-12-oxo-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-10-yl]-2,6-dimethoxyphenyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl carbonate > 0 > DB17255 > investigational > Etoposide toniribate > ((4rs)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl4-((5r,5ar,8ar,9s)-9-((4,6-o-((1r)-ethane-1,1-diyl)-.beta.-d-glucopyranosyl)oxy)-6-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo(3',4':6,7)naphtho(2,3-d)(1,3)dioxol-5-yl)-2,6-dimethoxyphenyl carbonate; Carbonic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-((5r,5ar,8ar,9s)-9-((4,6-o-(1r)-ethylidene-.beta.-d-glucopyranosyl)oxy)-5,5a,6,8,8a,9-hexahydro-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-2,6-dimethoxyphenyl ester; Provp-16i $$$$