Mrv0541 02241208022D 130143 0 0 0 0 999 V2000 3.3960 6.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 5.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 4.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9674 5.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9674 6.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 3.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 4.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9674 3.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 4.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 3.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 4.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6105 4.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7975 3.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 4.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 5.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1761 4.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1761 4.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 3.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8896 4.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8896 3.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6046 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0 0 0 0 0 0 0 -5.7031 0.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7402 -6.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3208 -7.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3201 4.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9514 3.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 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 12 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 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 17 20 1 0 0 0 0 18 25 1 0 0 0 0 18130 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 95 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 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 44 1 0 0 0 0 37 38 1 0 0 0 0 37 43 1 0 0 0 0 38 39 1 0 0 0 0 38 42 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 42 45 1 0 0 0 0 43 48 1 0 0 0 0 44 58 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 48 49 1 0 0 0 0 48 53 1 0 0 0 0 49 50 1 0 0 0 0 49 57 1 0 0 0 0 50 51 1 0 0 0 0 50 56 1 0 0 0 0 51 52 1 0 0 0 0 51 55 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 67 1 0 0 0 0 61 62 1 0 0 0 0 61 66 1 0 0 0 0 62 63 1 0 0 0 0 62 65 1 0 0 0 0 63 64 1 0 0 0 0 65 68 1 0 0 0 0 66 79 1 0 0 0 0 68 69 1 0 0 0 0 68 73 1 0 0 0 0 69 70 1 0 0 0 0 69 78 1 0 0 0 0 70 71 1 0 0 0 0 70 77 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 74 75 1 0 0 0 0 79 80 1 0 0 0 0 79 84 1 0 0 0 0 80 81 1 0 0 0 0 80 87 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 82 83 1 0 0 0 0 82 85 1 0 0 0 0 83 84 1 0 0 0 0 86 88 1 0 0 0 0 88 89 1 0 0 0 0 88 92 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 90 91 1 0 0 0 0 90 93 1 0 0 0 0 90127 1 0 0 0 0 91 92 1 0 0 0 0 95 96 1 0 0 0 0 95100 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 97101 1 0 0 0 0 98 99 1 0 0 0 0 98102 1 0 0 0 0 99100 1 0 0 0 0 99103 1 0 0 0 0 100104 1 0 0 0 0 101105 2 0 0 0 0 101106 1 0 0 0 0 103107 1 0 0 0 0 104116 1 0 0 0 0 107108 1 0 0 0 0 107112 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 109129 1 0 0 0 0 110111 1 0 0 0 0 110113 1 0 0 0 0 111112 1 0 0 0 0 111114 1 0 0 0 0 112115 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 118122 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 120121 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122123 1 0 0 0 0 127128 1 0 0 0 0 M END > CHEM022683 > 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)(CO)C6O)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/C84H132O46/c1-28-42(92)46(96)50(100)69(114-28)124-60-54(104)62(67(108)109)126-75(64(60)128-72-53(103)49(99)45(95)37(23-86)120-72)121-41-15-16-79(8)38(80(41,9)25-87)14-17-81(10)39(79)13-12-33-34-20-78(6,7)18-19-84(34,40(91)21-82(33,81)11)77(110)130-74-65(63(58(31(4)117-74)118-32(5)89)127-70-51(101)47(97)43(93)29(2)115-70)129-73-56(106)61(125-71-52(102)48(98)44(94)36(22-85)119-71)57(30(3)116-73)122-68-55(105)59(35(90)24-112-68)123-76-66(107)83(111,26-88)27-113-76/h12,25,28-31,34-66,68-76,85-86,88,90-107,111H,13-24,26-27H2,1-11H3,(H,108,109) > DYDVEUMBLQOHCZ-UHFFFAOYSA-N > C84H132O46 > 1877.9193 > 1876.798976836 > 44 > 190.66904911792642 > 0 > 23 > 0 > 0 > 6-{[8a-({[5-(acetyloxy)-3-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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 > 0.34 > -5.963943203000003 > -2.23 > 1 > 14 > -1 > 11.511766258302425 > 3.319888317182093 > -3.9476948998377486 > 708.9400000000004 > 418.80789999999973 > 26 > 0 > 1.12e+01 g/l > 6-{[8a-({[5-(acetyloxy)-3-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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-[apiosyl-(1->3)-xylosyl-(1->4)-[glucosyl-(1->3)]-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4-acetyl-fucosyl] ester > 287200-23-1 $$$$