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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3156 4.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9739 -0.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6011 2.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4577 -0.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6011 -0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1721 4.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3156 -0.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5449 -3.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4015 -1.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0300 3.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2594 -1.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6011 4.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1159 -0.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6011 1.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 -2.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1721 2.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7432 1.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 10 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 17 16 1 0 0 0 0 26 1 1 0 0 0 0 27 2 1 0 0 0 0 28 3 1 0 0 0 0 29 10 2 0 0 0 0 30 18 1 0 0 0 0 30 29 1 0 0 0 0 31 23 1 0 0 0 0 32 24 1 0 0 0 0 33 20 1 0 0 0 0 34 21 1 0 0 0 0 35 22 1 0 0 0 0 36 12 1 0 0 0 0 37 11 1 0 0 0 0 38 19 1 0 0 0 0 39 13 1 0 0 0 0 40 31 1 0 0 0 0 41 32 1 0 0 0 0 42 33 1 0 0 0 0 43 34 1 0 0 0 0 44 35 1 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 40 1 0 0 0 0 49 41 1 0 0 0 0 50 45 1 0 0 0 0 51 46 1 0 0 0 0 52 47 1 0 0 0 0 55 26 1 0 0 0 0 56 27 1 0 0 0 0 57 53 1 0 0 0 0 58 54 1 0 0 0 0 58 55 1 0 0 0 0 59 53 1 0 0 0 0 60 56 1 0 0 0 0 61 57 1 0 0 0 0 62 60 1 0 0 0 0 63 59 1 0 0 0 0 64 48 1 0 0 0 0 65 49 1 0 0 0 0 66 50 1 0 0 0 0 67 51 1 0 0 0 0 68 52 1 0 0 0 0 69 54 1 0 0 0 0 70 62 1 0 0 0 0 71 61 1 0 0 0 0 73 4 1 0 0 0 0 73 5 1 0 0 0 0 73 16 1 0 0 0 0 73 18 1 0 0 0 0 74 6 1 0 0 0 0 74 14 1 0 0 0 0 74 36 1 0 0 0 0 74 37 1 0 0 0 0 75 7 1 0 0 0 0 75 25 1 0 0 0 0 75 36 1 0 0 0 0 75 39 1 0 0 0 0 76 8 1 0 0 0 0 76 15 1 0 0 0 0 76 37 1 0 0 0 0 77 9 1 0 0 0 0 77 19 1 0 0 0 0 77 29 1 0 0 0 0 77 76 1 0 0 0 0 78 17 1 0 0 0 0 78 30 1 0 0 0 0 78 38 1 0 0 0 0 78 72 1 0 0 0 0 79 20 1 0 0 0 0 80 21 1 0 0 0 0 81 22 1 0 0 0 0 82 25 2 0 0 0 0 83 28 2 0 0 0 0 84 31 1 0 0 0 0 85 32 1 0 0 0 0 86 38 1 0 0 0 0 87 40 1 0 0 0 0 88 41 1 0 0 0 0 89 42 1 0 0 0 0 90 43 1 0 0 0 0 91 44 1 0 0 0 0 92 45 1 0 0 0 0 93 46 1 0 0 0 0 94 47 1 0 0 0 0 95 48 1 0 0 0 0 96 49 1 0 0 0 0 97 50 1 0 0 0 0 98 51 1 0 0 0 0 99 52 1 0 0 0 0 100 53 1 0 0 0 0 101 54 1 0 0 0 0 102 63 2 0 0 0 0 103 63 1 0 0 0 0 104 72 2 0 0 0 0 105 23 1 0 0 0 0 105 64 1 0 0 0 0 106 24 1 0 0 0 0 106 65 1 0 0 0 0 107 26 1 0 0 0 0 107 69 1 0 0 0 0 108 27 1 0 0 0 0 108 70 1 0 0 0 0 109 28 1 0 0 0 0 109 56 1 0 0 0 0 110 33 1 0 0 0 0 110 66 1 0 0 0 0 111 34 1 0 0 0 0 111 67 1 0 0 0 0 112 35 1 0 0 0 0 112 68 1 0 0 0 0 113 39 1 0 0 0 0 113 71 1 0 0 0 0 114 55 1 0 0 0 0 114 64 1 0 0 0 0 115 57 1 0 0 0 0 115 65 1 0 0 0 0 116 58 1 0 0 0 0 116 66 1 0 0 0 0 117 59 1 0 0 0 0 117 71 1 0 0 0 0 118 60 1 0 0 0 0 118 67 1 0 0 0 0 119 61 1 0 0 0 0 119 68 1 0 0 0 0 120 62 1 0 0 0 0 120 69 1 0 0 0 0 121 70 1 0 0 0 0 121 72 1 0 0 0 0 M END > CHEM022686 > chemdb > CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OCC(O)C(O)C1O > InChI=1S/C78H122O43/c1-26-55(114-64-48(95)40(87)31(84)23-105-64)58(116-66-50(97)45(92)42(89)33(20-79)110-66)54(101)69(107-26)120-62-60(118-67-51(98)46(93)43(90)34(21-80)111-67)56(109-28(3)83)27(2)108-70(62)121-72(104)78-17-16-73(4,5)18-30(78)29-10-11-37-74(6)14-13-39(75(7,25-82)36(74)12-15-76(37,8)77(29,9)19-38(78)86)113-71-61(119-68-52(99)47(94)44(91)35(22-81)112-68)57(53(100)59(117-71)63(102)103)115-65-49(96)41(88)32(85)24-106-65/h10,25-27,30-62,64-71,79-81,84-101H,11-24H2,1-9H3,(H,102,103) > FJIPBFYLXJVQNV-UHFFFAOYSA-N > C78H122O43 > 1747.7775 > 1746.73598265 > 41 > 174.49661083218086 > 0 > 22 > 0 > 0 > 6-{[8a-({[5-(acetyloxy)-3-[(3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0.10 > -6.150929134333334 > -2.15 > 1 > 13 > -1 > 11.59290725066422 > 3.281826181357189 > -3.947061848387688 > 670.2500000000005 > 389.2625999999995 > 24 > 0 > 1.25e+01 g/l > 6-{[8a-({[5-(acetyloxy)-3-[(3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[glucosyl-(1->3)-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester > 299184-67-1 $$$$