Mrv1533004161502102D 52 58 0 0 0 0 999 V2000 3.0129 -4.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 -4.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8562 -3.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0357 -3.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6995 -2.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1839 -2.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 -1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0273 -1.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3322 -0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9961 -0.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6372 -0.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 -0.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4889 -1.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0045 -2.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3406 -3.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1612 -3.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 -3.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 -3.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8023 -3.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1384 -4.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6228 -3.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -4.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7795 -4.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2639 -3.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 -4.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2650 -4.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9278 -2.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5404 -2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -2.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0397 -2.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6532 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4376 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4823 -3.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 -4.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9249 -5.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5384 -5.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1405 -5.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6978 -4.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5269 -4.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0843 -3.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 -2.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 -1.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9505 -1.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4661 -2.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6456 -2.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5513 -4.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2693 -4.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8874 -5.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -5.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -5.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0441 -5.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 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 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 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 25 26 1 0 0 0 0 26 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 34 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 25 41 1 0 0 0 0 30 41 1 0 0 0 0 28 42 1 0 0 0 0 22 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 20 45 1 0 0 0 0 45 46 1 0 0 0 0 17 46 1 0 0 0 0 4 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 2 51 1 0 0 0 0 51 52 1 0 0 0 0 M END > NP0260734 > NP-MRD > CC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C4CCC5(C=O)C(CC6OC(O)C(C=C(C)C)C(C)C56)C4CC=C3C2)C(O)C(O)C1O > InChI=1S/C39H60O13/c1-17(2)12-23-18(3)28-26(50-35(23)47)14-25-22-7-6-20-13-21(8-10-38(20,5)24(22)9-11-39(25,28)16-41)49-37-34(32(45)30(43)27(15-40)51-37)52-36-33(46)31(44)29(42)19(4)48-36/h6,12,16,18-19,21-37,40,42-47H,7-11,13-15H2,1-5H3 > IIZDYKIQRLOPAR-UHFFFAOYSA-N > C39H60O13 > 736.896 > 736.403391992 > 13 > 112 > 80.67639819685488 > 0 > 7 > 0 > 0 > 17-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-ene-10-carbaldehyde > -0.24 > 1.1037142166666662 > -3.46 > 1 > 7 > 0 > 12.314401388011458 > 11.80964956632612 > -2.9810837682076725 > 204.82999999999998 > 186.50800000000004 > 7 > 0 > 2.54e-01 g/l > 17-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-ene-10-carbaldehyde > 0 > NP0260734 > 17-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-ene-10-carbaldehyde $$$$