Mrv0541 05061309382D 105116 0 0 0 0 999 V2000 8.1272 -1.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2693 -1.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1272 1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 3.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 3.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1609 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3451 -2.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9825 -0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2645 0.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4464 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4464 -1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5899 -0.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8754 0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -1.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1259 2.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1259 1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4114 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 2.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1622 -4.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 7.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4127 5.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4057 -2.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1272 -0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2694 -0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4127 2.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9825 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5562 8.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1272 5.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1622 -4.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1609 -1.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4464 0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5898 -1.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -0.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9838 -0.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2707 7.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8767 -3.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8767 -2.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4477 -0.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4477 -1.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6983 3.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2706 7.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1272 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1622 -2.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9838 2.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 4.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4127 2.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 5.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9838 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7332 0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 -1.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2693 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5562 6.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1272 4.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9838 2.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4477 -2.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0188 -1.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5549 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1259 0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4114 2.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1609 -0.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8754 -1.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9825 0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2681 -0.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4477 -5.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1235 -2.9567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5562 9.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1272 6.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5562 -0.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6983 -0.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 8.3505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5911 -4.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5562 0.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5911 -2.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1622 0.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1622 -1.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6983 4.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 6.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7890 1.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8239 -1.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2693 3.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5561 4.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4477 1.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0188 1.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1259 -0.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 7.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 4.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4127 -0.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5549 -0.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6983 1.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4477 -3.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3043 -1.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1272 3.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5562 5.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6983 0.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0188 -0.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 -2.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2693 1.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8404 0.9256 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 18 16 1 0 0 0 0 19 17 1 0 0 0 0 25 1 1 0 0 0 0 26 2 1 0 0 0 0 27 3 1 0 0 0 0 28 10 2 0 0 0 0 29 20 1 0 0 0 0 29 28 1 0 0 0 0 30 22 1 0 0 0 0 31 23 1 0 0 0 0 32 21 1 0 0 0 0 33 12 1 0 0 0 0 34 11 1 0 0 0 0 35 13 1 0 0 0 0 36 25 1 0 0 0 0 37 26 1 0 0 0 0 38 30 1 0 0 0 0 39 32 1 0 0 0 0 40 36 1 0 0 0 0 41 39 1 0 0 0 0 43 42 1 0 0 0 0 45 38 1 0 0 0 0 46 40 1 0 0 0 0 47 41 1 0 0 0 0 48 44 1 0 0 0 0 50 27 1 0 0 0 0 50 44 1 0 0 0 0 51 31 1 0 0 0 0 51 49 1 0 0 0 0 52 37 1 0 0 0 0 53 42 1 0 0 0 0 54 43 1 0 0 0 0 55 52 1 0 0 0 0 56 53 1 0 0 0 0 57 45 1 0 0 0 0 58 49 1 0 0 0 0 59 46 1 0 0 0 0 60 48 1 0 0 0 0 61 47 1 0 0 0 0 62 54 1 0 0 0 0 63 55 1 0 0 0 0 65 4 1 0 0 0 0 65 5 1 0 0 0 0 65 16 1 0 0 0 0 65 20 1 0 0 0 0 66 6 1 0 0 0 0 66 14 1 0 0 0 0 66 33 1 0 0 0 0 66 34 1 0 0 0 0 67 7 1 0 0 0 0 67 24 1 0 0 0 0 67 33 1 0 0 0 0 67 35 1 0 0 0 0 68 8 1 0 0 0 0 68 17 1 0 0 0 0 68 28 1 0 0 0 0 69 9 1 0 0 0 0 69 15 1 0 0 0 0 69 34 1 0 0 0 0 69 68 1 0 0 0 0 70 18 1 0 0 0 0 70 19 1 0 0 0 0 70 29 1 0 0 0 0 70 64 1 0 0 0 0 71 21 1 0 0 0 0 72 24 2 0 0 0 0 73 30 1 0 0 0 0 74 31 1 0 0 0 0 75 36 1 0 0 0 0 76 37 1 0 0 0 0 77 38 1 0 0 0 0 78 39 1 0 0 0 0 79 40 1 0 0 0 0 80 41 1 0 0 0 0 81 42 1 0 0 0 0 82 43 1 0 0 0 0 83 44 1 0 0 0 0 84 45 1 0 0 0 0 85 46 1 0 0 0 0 86 47 1 0 0 0 0 87 48 1 0 0 0 0 88 49 1 0 0 0 0 89 56 2 0 0 0 0 90 56 1 0 0 0 0 91 64 2 0 0 0 0 92 22 1 0 0 0 0 92 57 1 0 0 0 0 93 23 1 0 0 0 0 93 58 1 0 0 0 0 94 25 1 0 0 0 0 94 59 1 0 0 0 0 95 26 1 0 0 0 0 95 63 1 0 0 0 0 96 27 1 0 0 0 0 96 60 1 0 0 0 0 97 32 1 0 0 0 0 97 61 1 0 0 0 0 98 35 1 0 0 0 0 98 62 1 0 0 0 0 99 50 1 0 0 0 0 99 58 1 0 0 0 0 100 51 1 0 0 0 0 100 57 1 0 0 0 0 101 52 1 0 0 0 0 101 59 1 0 0 0 0 102 53 1 0 0 0 0 102 62 1 0 0 0 0 103 54 1 0 0 0 0 103 61 1 0 0 0 0 104 55 1 0 0 0 0 104 60 1 0 0 0 0 105 63 1 0 0 0 0 105 64 1 0 0 0 0 M END > CHEM030774 > chemdb > CC1OC(OC2C(O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C2OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C70H110O35/c1-25-36(75)40(79)46(85)59(94-25)101-52-37(76)26(2)95-63(55(52)104-60-48(87)44(83)50(27(3)96-60)99-58-49(88)51(31(74)23-93-58)100-57-45(84)38(77)30(73)22-92-57)105-64(91)70-18-16-65(4,5)20-29(70)28-10-11-34-66(6)14-13-35(67(7,24-72)33(66)12-15-69(34,9)68(28,8)17-19-70)98-62-54(43(82)42(81)53(102-62)56(89)90)103-61-47(86)41(80)39(78)32(21-71)97-61/h10,24-27,29-55,57-63,71,73-88H,11-23H2,1-9H3,(H,89,90) > IVYQSEVUVAENJB-UHFFFAOYSA-N > C70H110O35 > 1511.6014 > 1510.68276529 > 34 > 154.66127565477439 > 0 > 18 > 0 > 0 > 6-[(8a-{[(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}-5-hydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]carbonyl}-4-formyl-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]-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 0.29 > -2.543497865333331 > -2.66 > 1 > 12 > -1 > 11.65742423183996 > 3.309936072537414 > -3.732277624735164 > 544.5700000000003 > 344.63859999999966 > 18 > 0 > 3.31e+00 g/l > 6-[(8a-{[(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}-5-hydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]carbonyl}-4-formyl-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]-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 0 > Goyasaponin II > 333333-23-6 $$$$