Mrv0541 05061309022D 119131 0 0 0 0 999 V2000 3.3570 5.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 4.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 4.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 4.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 5.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 2.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 3.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 3.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 2.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 4.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 4.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 4.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 4.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2154 4.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2154 3.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 4.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 3.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3588 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3588 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0732 2.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2154 2.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 2.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0316 1.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 1.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6942 0.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 6.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7877 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5022 2.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2167 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2167 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5022 3.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7877 3.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5022 4.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9311 3.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9311 2.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5022 1.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7877 4.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2167 4.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7859 4.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7859 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5004 2.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2149 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2149 4.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5004 4.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9293 4.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9293 2.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5004 2.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 2.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 2.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7859 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7859 1.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5004 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 -0.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 0.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 2.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -0.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 -0.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -0.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -1.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 -2.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -1.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 -2.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 -2.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 -2.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2167 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2167 -0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9311 -0.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6456 -0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6456 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9311 1.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3601 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0745 0.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3601 -0.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9311 -1.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5022 -0.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 3.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6438 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3583 2.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6438 4.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2149 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2149 0.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9293 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6438 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6438 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9293 2.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9293 -0.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3583 0.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3583 2.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4143 2.7140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6456 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3601 2.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0745 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0745 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3601 3.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6456 3.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7890 3.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3601 4.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 4.0377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7890 2.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -3.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 -2.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 -3.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 -4.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 -4.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -4.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2154 -4.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 -5.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 -4.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8347 2.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 86 2 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 24 1 0 0 0 0 17119 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 26 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 22 27 1 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 43 1 0 0 0 0 36 37 1 0 0 0 0 36 42 1 0 0 0 0 37 38 1 0 0 0 0 37 41 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 44 2 0 0 0 0 40 45 1 0 0 0 0 42100 1 0 0 0 0 43 75 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 47 55 1 0 0 0 0 48 49 1 0 0 0 0 48 54 1 0 0 0 0 49 50 1 0 0 0 0 49 53 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 53 87 1 0 0 0 0 54 90 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 57 65 1 0 0 0 0 58 59 1 0 0 0 0 58 64 1 0 0 0 0 59 60 1 0 0 0 0 59 63 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 63 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 72 1 0 0 0 0 70 71 1 0 0 0 0 70 73 1 0 0 0 0 71 74 1 0 0 0 0 73110 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 76 77 1 0 0 0 0 76 85 1 0 0 0 0 77 78 1 0 0 0 0 77 84 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 81 82 1 0 0 0 0 87 88 2 0 0 0 0 87 89 1 0 0 0 0 90 91 1 0 0 0 0 90 95 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 96 1 0 0 0 0 93 94 1 0 0 0 0 93 97 1 0 0 0 0 94 95 1 0 0 0 0 94 98 1 0 0 0 0 95 99 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102109 1 0 0 0 0 103104 1 0 0 0 0 103106 1 0 0 0 0 104105 1 0 0 0 0 104107 1 0 0 0 0 105108 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113116 1 0 0 0 0 114115 1 0 0 0 0 114117 1 0 0 0 0 115118 1 0 0 0 0 M END > CHEM030013 > 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(OC6OCC(O)C(O)C6O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O > InChI=1S/C78H122O41/c1-26-40(85)44(89)49(94)66(105-26)114-58-53(98)59(63(100)101)115-71(61(58)117-69-51(96)46(91)43(88)35(22-79)110-69)111-39-15-16-74(8)36(75(39,9)25-80)14-17-76(10)37(74)13-12-31-32-20-73(6,7)18-19-78(32,38(84)21-77(31,76)11)72(102)119-70-62(60(56(29(4)108-70)109-30(5)81)116-67-50(95)45(90)41(86)27(2)106-67)118-68-52(97)47(92)55(28(3)107-68)112-65-54(99)57(34(83)24-104-65)113-64-48(93)42(87)33(82)23-103-64/h12,25-29,32-62,64-71,79,82-99H,13-24H2,1-11H3,(H,100,101) > NIGZBYKDLOLGFB-UHFFFAOYSA-N > C78H122O41 > 1715.7787 > 1714.746153406 > 39 > 172.1714971751548 > 0 > 20 > 0 > 0 > 6-{[8a-({[5-(acetyloxy)-3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-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 > 0.29 > -4.057109201000002 > -2.60 > 1 > 13 > -1 > 11.593029995265596 > 3.319888317658546 > -3.9470640175908676 > 629.7900000000002 > 386.17519999999973 > 22 > 0 > 4.32e+00 g/l > 6-{[8a-({[5-(acetyloxy)-3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-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)]-glucuronoside] 28-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4-acetyl-fucosyl] ester > 287386-86-1 $$$$