Mrv0541 05061309282D 121133 0 0 0 0 999 V2000 -5.4468 1.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2715 -1.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3775 2.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4136 -1.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1281 -1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0254 3.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 3.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9834 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7992 -2.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1269 -0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4123 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6979 1.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6979 -1.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4456 -0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2689 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4123 -0.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2702 2.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2702 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8413 2.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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O 0 0 0 0 0 0 0 0 0 0 0 0 9.5571 4.7811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7324 -0.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5570 -0.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8426 1.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6992 -0.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8426 -0.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4136 4.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0179 -2.2314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -1.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2715 3.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0179 -1.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8426 4.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8745 -0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8426 1.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5889 -2.2314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4136 1.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 1.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 12 1 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 19 18 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 4 1 0 0 0 0 30 5 1 0 0 0 0 31 12 2 0 0 0 0 32 20 1 0 0 0 0 32 31 1 0 0 0 0 33 24 1 0 0 0 0 34 22 1 0 0 0 0 35 23 1 0 0 0 0 36 14 1 0 0 0 0 37 13 1 0 0 0 0 38 21 1 0 0 0 0 39 15 1 0 0 0 0 40 26 1 0 0 0 0 41 27 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 40 1 0 0 0 0 46 41 1 0 0 0 0 47 43 1 0 0 0 0 48 44 1 0 0 0 0 49 42 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 53 48 1 0 0 0 0 56 28 1 0 0 0 0 57 29 1 0 0 0 0 58 54 1 0 0 0 0 59 55 1 0 0 0 0 59 56 1 0 0 0 0 60 54 1 0 0 0 0 61 57 1 0 0 0 0 62 58 1 0 0 0 0 63 61 1 0 0 0 0 64 60 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 53 1 0 0 0 0 70 55 1 0 0 0 0 71 63 1 0 0 0 0 72 62 1 0 0 0 0 74 6 1 0 0 0 0 74 7 1 0 0 0 0 74 18 1 0 0 0 0 74 20 1 0 0 0 0 75 8 1 0 0 0 0 75 16 1 0 0 0 0 75 36 1 0 0 0 0 75 37 1 0 0 0 0 76 9 1 0 0 0 0 76 25 1 0 0 0 0 76 36 1 0 0 0 0 76 39 1 0 0 0 0 77 10 1 0 0 0 0 77 17 1 0 0 0 0 77 37 1 0 0 0 0 78 11 1 0 0 0 0 78 21 1 0 0 0 0 78 31 1 0 0 0 0 78 77 1 0 0 0 0 79 19 1 0 0 0 0 79 32 1 0 0 0 0 79 38 1 0 0 0 0 79 73 1 0 0 0 0 80 22 1 0 0 0 0 81 23 1 0 0 0 0 82 25 2 0 0 0 0 83 30 2 0 0 0 0 84 33 1 0 0 0 0 85 38 1 0 0 0 0 86 40 1 0 0 0 0 87 41 1 0 0 0 0 88 42 1 0 0 0 0 89 43 1 0 0 0 0 90 44 1 0 0 0 0 91 45 1 0 0 0 0 92 46 1 0 0 0 0 93 47 1 0 0 0 0 94 48 1 0 0 0 0 95 49 1 0 0 0 0 96 50 1 0 0 0 0 97 51 1 0 0 0 0 98 52 1 0 0 0 0 99 53 1 0 0 0 0 100 54 1 0 0 0 0 101 55 1 0 0 0 0 102 64 2 0 0 0 0 103 64 1 0 0 0 0 104 73 2 0 0 0 0 105 24 1 0 0 0 0 105 65 1 0 0 0 0 106 26 1 0 0 0 0 106 66 1 0 0 0 0 107 27 1 0 0 0 0 107 67 1 0 0 0 0 108 28 1 0 0 0 0 108 70 1 0 0 0 0 109 29 1 0 0 0 0 109 71 1 0 0 0 0 110 30 1 0 0 0 0 110 57 1 0 0 0 0 111 34 1 0 0 0 0 111 68 1 0 0 0 0 112 35 1 0 0 0 0 112 69 1 0 0 0 0 113 39 1 0 0 0 0 113 72 1 0 0 0 0 114 56 1 0 0 0 0 114 65 1 0 0 0 0 115 58 1 0 0 0 0 115 66 1 0 0 0 0 116 59 1 0 0 0 0 116 68 1 0 0 0 0 117 60 1 0 0 0 0 117 72 1 0 0 0 0 118 61 1 0 0 0 0 118 67 1 0 0 0 0 119 62 1 0 0 0 0 119 69 1 0 0 0 0 120 63 1 0 0 0 0 120 70 1 0 0 0 0 121 71 1 0 0 0 0 121 73 1 0 0 0 0 M END > CHEM022693 > chemdb > CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O > InChI=1S/C79H124O42/c1-26-40(86)45(91)50(96)66(106-26)115-58-54(100)60(64(102)103)117-72(62(58)119-69-53(99)48(94)44(90)35(23-81)112-69)113-39-15-16-75(8)36(76(39,9)25-82)14-17-77(10)37(75)13-12-31-32-20-74(6,7)18-19-79(32,38(85)21-78(31,77)11)73(104)121-71-63(61(57(29(4)109-71)110-30(5)83)118-67-51(97)46(92)41(87)27(2)107-67)120-70-55(101)59(116-68-52(98)47(93)43(89)34(22-80)111-68)56(28(3)108-70)114-65-49(95)42(88)33(84)24-105-65/h12,25-29,32-63,65-72,80-81,84-101H,13-24H2,1-11H3,(H,102,103) > FPKFGFGFNVQYEC-UHFFFAOYSA-N > C79H124O42 > 1745.8047 > 1744.756718092 > 40 > 175.49286921027573 > 0 > 21 > 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-methyloxan-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-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid > 0.25 > -4.687444143000002 > -2.42 > 1 > 13 > -1 > 11.592779044615826 > 3.3198883176572074 > -3.947061848387688 > 650.0200000000004 > 392.13769999999954 > 23 > 0 > 6.57e+00 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-methyloxan-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-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[rhamnosyl-(1->3)-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester > 299184-63-7 $$$$