Mrv1533004261502502D 85 94 0 0 0 0 999 V2000 3.1293 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1339 -2.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8507 -2.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3696 -3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5486 -3.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0675 -3.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4073 -4.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2465 -3.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 -4.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0556 -4.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3954 -3.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2163 -3.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5562 -2.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3771 -2.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6975 -4.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5185 -4.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3577 -4.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8389 -5.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5367 -4.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 -5.7347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -1.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -1.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7151 -1.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3313 -2.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1513 -1.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4826 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3026 -1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7913 -1.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6112 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0999 -2.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7686 -3.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9486 -3.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4600 -2.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6400 -2.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3087 -3.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4887 -3.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5915 -3.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1791 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4669 -3.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3853 -3.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9199 -2.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4086 -2.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0773 -3.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5659 -4.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2346 -5.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7233 -5.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3859 -4.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8746 -4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6946 -4.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0259 -4.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8459 -3.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1772 -3.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9972 -3.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3345 -4.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1545 -4.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0032 -5.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4919 -6.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3119 -5.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8006 -6.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6206 -6.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9519 -5.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7718 -5.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4632 -5.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7945 -4.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6432 -5.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6386 -4.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1833 -5.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8520 -6.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3406 -6.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1606 -6.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6493 -7.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4693 -7.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9580 -8.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3180 -8.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8067 -8.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4980 -8.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1667 -9.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0093 -7.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1893 -7.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7172 -3.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5372 -3.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2286 -2.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5599 -2.0339 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 10 19 1 0 0 0 0 19 20 1 0 0 0 0 3 21 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 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 32 33 1 0 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 25 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 24 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 22 40 1 0 0 0 0 40 41 1 0 0 0 0 3 41 1 0 0 0 0 41 42 1 0 0 0 0 30 43 1 0 0 0 0 43 44 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 47 48 1 0 0 0 0 46 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 53 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 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 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 60 67 1 0 0 0 0 67 68 1 0 0 0 0 58 69 1 0 0 0 0 51 69 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 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 73 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 1 0 0 0 0 71 80 1 0 0 0 0 80 81 1 0 0 0 0 49 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 1 0 0 0 0 44 84 1 0 0 0 0 84 85 1 0 0 0 0 M END > NP0171830 > NP-MRD > COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O > InChI=1S/C57H94O28/c1-22(20-75-50-44(71)40(67)37(64)31(16-58)78-50)8-13-57(74-5)23(2)35-30(85-57)15-28-26-7-6-24-14-25(9-11-55(24,3)27(26)10-12-56(28,35)4)77-52-46(73)42(69)47(34(19-61)81-52)82-54-49(84-53-45(72)41(68)38(65)32(17-59)79-53)48(39(66)33(18-60)80-54)83-51-43(70)36(63)29(62)21-76-51/h6,22-23,25-54,58-73H,7-21H2,1-5H3 > OTWKACNCVAYEGM-UHFFFAOYSA-N > C57H94O28 > 1227.351 > 1226.593162387 > 28 > 179 > 129.62113037430905 > 0 > 16 > 0 > 0 > 2-(4-{16-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol > -0.97 > -3.815114901000001 > -2.76 > 1 > 10 > 0 > 12.096420309554752 > 11.677231287009937 > -3.672686771973492 > 434.4400000000001 > 284.6311999999999 > 19 > 0 > 2.11e+00 g/l > 2-(4-{16-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0171830 > sibiricoside a $$$$