Mrv1652304292207122D 57 63 0 0 1 0 999 V2000 4.1763 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -2.7770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1763 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -1.3480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1763 -0.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 0.0809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1763 0.7954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 0.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 1.5099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1763 2.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9388 1.5099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5263 2.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5263 0.7954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7013 0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2888 0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9388 0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -1.3480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4763 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 -1.3480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9750 -0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -1.3480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9513 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3638 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2205 -0.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1390 -1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7763 -2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6013 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0138 -2.7770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8388 -2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2513 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8388 -4.2059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2513 -4.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0138 -4.2059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6013 -4.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6013 -3.4914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7763 -3.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3638 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7138 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4763 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2388 -2.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -2.7770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1134 -3.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 -3.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 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 1 0 0 0 6 7 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 8 18 1 0 0 0 0 6 19 2 0 0 0 0 5 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 6 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 1 0 0 0 35 34 1 6 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 6 0 0 0 38 40 1 0 0 0 0 40 41 1 6 0 0 0 40 42 1 0 0 0 0 35 42 1 0 0 0 0 42 43 1 1 0 0 0 33 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 28 46 1 0 0 0 0 46 47 1 1 0 0 0 46 48 1 0 0 0 0 24 48 1 0 0 0 0 48 49 1 6 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 22 52 1 0 0 0 0 52 53 1 0 0 0 0 5 53 1 0 0 0 0 53 54 1 1 0 0 0 53 55 1 0 0 0 0 2 55 1 0 0 0 0 55 56 1 6 0 0 0 55 57 1 1 0 0 0 M END > NP0084481 > NP-MRD > [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)CC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)C2(C)C > InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1 > WCHBFWOEFOZHMK-MLHVESHNSA-N > C41H66O13 > 766.966 > 766.450342185 > 12 > 120 > 83.78041814107834 > 0 > 8 > 0 > 0 > (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate > 2.59 > 1.9359831176666678 > -3.97 > 1 > 7 > 0 > 12.450001866225332 > 11.918193395257296 > -2.9810936801758814 > 215.82999999999998 > 194.18510000000003 > 6 > 0 > 8.29e-02 g/l > (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate > 0 > NP0084481 > Ziyuglycoside I $$$$