Mrv0541 05061308302D 86 95 0 0 0 0 999 V2000 -1.9294 -1.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 -4.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4988 -3.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 -4.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0795 -4.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -3.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1388 -3.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6788 -4.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3188 -3.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8589 -4.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 -2.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9814 -2.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8528 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0853 -2.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7687 -5.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8395 -8.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5474 -3.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6048 -5.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 -3.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9907 -7.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9248 -2.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 -3.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4701 -2.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5215 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0102 -3.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7015 -2.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1614 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6728 -1.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3220 -6.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3732 -2.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7733 -4.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0195 -8.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2161 -4.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9361 -4.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 -3.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8334 -5.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4901 -4.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6882 -8.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7047 -5.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4948 -3.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8682 -8.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -4.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0134 -5.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7826 -2.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3795 -8.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5987 -3.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7561 -4.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3734 -6.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5534 -6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0659 -3.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6821 -6.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7788 -3.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7108 -7.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0648 -5.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -3.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 -3.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2209 -3.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4808 -5.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3281 -8.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3673 -3.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0935 -6.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 -0.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1420 -6.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1647 -4.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2023 -4.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1768 -9.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5247 -5.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2116 -2.8383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -9.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9074 -4.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0087 -5.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7873 -2.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5595 -8.3823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9300 -2.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2603 -3.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3537 -2.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1708 -7.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -2.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0612 -4.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5308 -7.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3961 -4.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4474 -4.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2448 -5.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8621 -6.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2221 -6.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 -2.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 21 1 1 0 0 0 0 21 6 1 0 0 0 0 21 19 1 0 0 0 0 22 2 1 0 0 0 0 23 7 1 0 0 0 0 23 12 1 0 0 0 0 24 13 1 0 0 0 0 25 8 1 0 0 0 0 25 24 1 0 0 0 0 26 14 1 0 0 0 0 26 24 1 0 0 0 0 27 12 1 0 0 0 0 28 13 1 0 0 0 0 28 27 1 0 0 0 0 29 20 1 0 0 0 0 30 14 1 0 0 0 0 31 15 1 0 0 0 0 32 16 1 0 0 0 0 33 17 1 0 0 0 0 34 18 1 0 0 0 0 35 22 1 0 0 0 0 35 30 1 0 0 0 0 36 29 1 0 0 0 0 37 31 1 0 0 0 0 38 32 1 0 0 0 0 39 33 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 43 36 1 0 0 0 0 44 40 1 0 0 0 0 45 41 1 0 0 0 0 46 42 1 0 0 0 0 47 34 1 0 0 0 0 47 42 1 0 0 0 0 48 39 1 0 0 0 0 49 48 1 0 0 0 0 50 44 1 0 0 0 0 51 43 1 0 0 0 0 52 46 1 0 0 0 0 53 45 1 0 0 0 0 54 49 1 0 0 0 0 55 3 1 0 0 0 0 55 9 1 0 0 0 0 55 25 1 0 0 0 0 55 27 1 0 0 0 0 56 4 1 0 0 0 0 56 10 1 0 0 0 0 56 26 1 0 0 0 0 56 35 1 0 0 0 0 57 11 1 0 0 0 0 57 22 1 0 0 0 0 58 15 1 0 0 0 0 59 16 1 0 0 0 0 60 17 1 0 0 0 0 61 18 1 0 0 0 0 62 28 1 0 0 0 0 63 29 1 0 0 0 0 64 36 1 0 0 0 0 65 37 1 0 0 0 0 66 38 1 0 0 0 0 67 39 1 0 0 0 0 68 40 1 0 0 0 0 69 41 1 0 0 0 0 70 42 1 0 0 0 0 71 43 1 0 0 0 0 72 44 1 0 0 0 0 73 45 1 0 0 0 0 74 46 1 0 0 0 0 75 5 1 0 0 0 0 75 57 1 0 0 0 0 76 19 1 0 0 0 0 76 50 1 0 0 0 0 77 20 1 0 0 0 0 77 51 1 0 0 0 0 78 23 1 0 0 0 0 78 52 1 0 0 0 0 79 31 1 0 0 0 0 79 50 1 0 0 0 0 80 32 1 0 0 0 0 80 53 1 0 0 0 0 81 33 1 0 0 0 0 81 54 1 0 0 0 0 82 34 1 0 0 0 0 82 52 1 0 0 0 0 83 47 1 0 0 0 0 83 54 1 0 0 0 0 84 48 1 0 0 0 0 84 51 1 0 0 0 0 85 49 1 0 0 0 0 85 53 1 0 0 0 0 86 30 1 0 0 0 0 86 57 1 0 0 0 0 M END > CHEM029385 > chemdb > COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O > InChI=1S/C57H96O29/c1-21(19-76-50-44(72)40(68)37(65)31(15-58)79-50)6-11-57(75-5)22(2)35-30(86-57)14-26-24-13-28(62)27-12-23(7-9-55(27,3)25(24)8-10-56(26,35)4)78-52-46(74)42(70)47(34(18-61)82-52)83-54-49(85-53-45(73)41(69)38(66)32(16-59)80-53)48(39(67)33(17-60)81-54)84-51-43(71)36(64)29(63)20-77-51/h21-54,58-74H,6-20H2,1-5H3 > WXRWBINXCITVLG-UHFFFAOYSA-N > C57H96O29 > 1245.3547 > 1244.60372711 > 29 > 130.2562775856499 > 0 > 17 > 0 > 0 > 2-(4-{16-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-19-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol > -1.31 > -4.718300216666667 > -2.59 > 1 > 10 > 0 > 12.096424575907406 > 11.677235623972669 > -3.672686771973492 > 454.67000000000024 > 285.37370000000004 > 19 > 0 > 3.21e+00 g/l > 2-(4-{16-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-19-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > (3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside > 256642-48-5 $$$$