Mrv0541 02241208272D 83 92 0 0 0 0 999 V2000 5.1817 2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9961 2.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8141 2.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1386 1.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9552 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4515 1.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 1.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7673 0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6613 0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6751 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0317 -0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7535 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1819 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1956 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 0.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5027 1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2245 1.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9311 1.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 2.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 3.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2166 2.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7189 1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 1.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6969 0.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2783 0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0977 0.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4194 -0.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2389 -0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5605 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3785 -1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7030 -2.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1052 -0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9232 -1.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2448 -1.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0656 -1.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3860 -2.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7485 -2.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3968 -0.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1049 -0.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8253 -0.8305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2551 -0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9617 -0.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6836 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6973 -1.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 -2.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4328 -2.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1546 -3.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3679 0.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0897 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7978 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7826 1.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5181 0.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2262 0.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3476 2.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0693 1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7747 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7609 2.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8049 0.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0830 0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3750 0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3902 -0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1119 -0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8173 -0.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2334 0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5116 0.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4965 1.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2031 2.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1257 -1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8475 -1.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5541 -1.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5391 -0.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2471 -0.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9690 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6770 -0.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7030 -1.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9827 -1.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2759 -1.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2911 -2.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 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 28 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 37 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 39 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 39 40 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 54 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 57 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 66 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 73 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 64 1 0 0 0 0 61 62 1 0 0 0 0 61 71 1 0 0 0 0 63 64 1 0 0 0 0 63 70 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 73 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 82 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 81 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 M END > CHEM031965 > chemdb > CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C56H92O27/c1-21(18-73-49-43(68)40(65)37(62)31(16-57)78-49)8-13-56(72)22(2)34-30(83-56)15-28-26-7-6-24-14-25(9-11-54(24,4)27(26)10-12-55(28,34)5)77-52-45(70)41(66)38(63)33(80-52)20-75-53-48(82-51-44(69)39(64)35(60)23(3)76-51)46(71)47(32(17-58)79-53)81-50-42(67)36(61)29(59)19-74-50/h6,21-23,25-53,57-72H,7-20H2,1-5H3 > BTKYWGCMCQREJD-UHFFFAOYSA-N > C56H92O27 > 1197.3135 > 1196.582597738 > 27 > 125.2726081489354 > 0 > 16 > 0 > 0 > 2-({[4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}oxane-3,4,5-triol > -0.93 > -3.411331438000002 > -2.83 > 1 > 10 > 0 > 11.888817685058502 > 11.46299407251804 > -3.6786119366911016 > 425.2100000000001 > 278.33630000000005 > 17 > 0 > 1.78e+00 g/l > 2-({[4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}oxane-3,4,5-triol > 0 > Trigofoenoside G > 94714-57-5 $$$$