Mrv0541 02241210522D 74 82 0 0 0 0 999 V2000 1.3805 3.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7217 2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 2.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7217 1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 0.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4227 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3967 2.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0805 1.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3967 0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3967 -0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9712 -0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6549 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4743 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1581 -0.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8169 -1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1331 -1.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7919 -2.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0397 -2.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6984 -2.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2453 1.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9712 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7905 1.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5415 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2965 1.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 -3.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4723 -4.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 -4.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5412 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5412 2.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4318 2.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9087 2.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6637 1.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0023 1.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8153 3.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 3.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7257 4.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3314 4.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2532 5.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8617 5.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3012 2.3823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2903 3.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8987 3.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8864 4.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4961 4.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5221 3.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2078 2.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9337 3.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1594 -3.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8169 -2.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1594 -2.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8432 -2.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4723 -2.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2917 -2.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6999 -2.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1331 -2.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7234 -3.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1506 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5354 -3.4880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9187 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3063 -3.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7672 -4.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1506 -4.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5354 -4.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9187 -4.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3063 -4.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6999 -4.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2917 -4.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6999 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5221 -3.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5354 -5.6065 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 33 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 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 25 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 22 23 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 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 71 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 50 1 0 0 0 0 39 40 1 0 0 0 0 39 45 1 0 0 0 0 39 51 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 47 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 49 1 0 0 0 0 47 48 1 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 59 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 57 72 1 0 0 0 0 59 60 1 0 0 0 0 60 61 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 63 64 1 0 0 0 0 63 68 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 74 1 0 0 0 0 68 69 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 M END > CHEM032813 > chemdb > CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C51H86O23/c1-19(18-66-45-39(61)38(60)35(57)30(16-52)70-45)9-12-51(65)20(2)32-29(74-51)14-26-24-8-7-23-13-28(27(54)15-50(23,6)25(24)10-11-49(26,32)5)69-48-44(73-47-41(63)37(59)34(56)22(4)68-47)42(64)43(31(17-53)71-48)72-46-40(62)36(58)33(55)21(3)67-46/h19-48,52-65H,7-18H2,1-6H3 > RLHJEIAJHAUXFM-UHFFFAOYSA-N > C51H86O23 > 1067.2147 > 1066.555989058 > 23 > 113.01710878963041 > 0 > 14 > 0 > 0 > 2-[(6-{[6,15-dihydroxy-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]icosan-16-yl]oxy}-4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol > -0.81 > -1.8932448933333326 > -2.88 > 1 > 9 > 0 > 11.957787917607092 > 11.505555163262311 > -3.676505485365176 > 366.29 > 250.8533000000001 > 14 > 0 > 1.42e+00 g/l > 2-[(6-{[6,15-dihydroxy-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]icosan-16-yl]oxy}-4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol > 0 > Trigofoenoside C > 99753-12-5 $$$$