Mrv0541 02241209152D 74 82 0 0 0 0 999 V2000 4.3815 3.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2096 2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 2.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 1.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1870 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6709 2.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0131 1.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0131 0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 -0.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0131 -0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7266 -0.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4416 -0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4416 0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7266 0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7266 1.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4416 2.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 1.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 2.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 3.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4258 2.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9405 1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4258 1.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2096 1.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9405 0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5224 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3434 0.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6789 -0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4984 -0.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8339 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6547 -1.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9903 -1.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3726 -0.8126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1934 -0.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 -1.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3498 -1.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6854 -2.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0436 -2.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1306 -0.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8456 -0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 -0.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2744 -0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9894 -0.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7030 -0.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4180 -0.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4180 -1.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 -2.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 -2.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8466 -3.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1306 0.7962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8456 0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 1.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2744 0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9894 0.7962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 2.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8466 1.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5616 2.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5616 2.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5616 0.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8466 0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 0.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 -0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8466 -0.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5616 -0.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9903 0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2753 0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2753 1.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9903 2.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8466 -1.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5616 -2.0914 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 M END > CHEM031964 > chemdb > CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C51H84O23/c1-20(18-66-45-41(62)38(59)34(55)29(16-52)70-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)69-47-43(64)39(60)36(57)31(72-47)19-67-48-44(40(61)35(56)30(17-53)71-48)73-46-42(63)37(58)33(54)22(3)68-46/h6,20-22,24-48,52-65H,7-19H2,1-5H3 > BHXVNJJNKMZPQB-UHFFFAOYSA-N > C51H84O23 > 1065.1989 > 1064.540338994 > 23 > 113.14739480734374 > 0 > 14 > 0 > 0 > 2-({[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-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 > -0.68 > -2.2708307343333334 > -3.00 > 1 > 9 > 0 > 11.958512035395422 > 11.505945933719795 > -3.676506702986135 > 366.29 > 251.8855000000001 > 15 > 0 > 1.06e+00 g/l > 2-({[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-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 F > 94714-56-4 $$$$