Mrv1652304282219002D 85 94 0 0 1 0 999 V2000 6.0770 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4895 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0770 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2520 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0145 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2732 1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 -1.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -1.7309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1105 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -3.1599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7605 -2.4454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3480 -1.7309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7605 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9980 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8230 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2355 -1.0164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8230 -1.7309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9980 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2355 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 -1.7309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0605 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -3.1599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7105 -2.4454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2980 -1.7309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7105 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5355 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 -3.1599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2030 -3.9445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0280 -3.9445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2829 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6155 -2.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1228 -4.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7781 -4.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8557 -5.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7180 -4.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1944 -3.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 -3.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2355 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 -3.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6882 -1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 -0.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1058 -1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8342 -1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3145 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 2.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5520 2.5559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9645 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5520 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9645 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 1.8414 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 1 6 1 0 0 0 0 5 7 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 4 10 1 6 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 7 14 1 6 0 0 0 15 12 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 11 18 1 0 0 0 0 17 19 1 1 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 15 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 16 26 1 6 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 29 28 1 6 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 33 34 1 0 0 0 0 29 34 1 0 0 0 0 34 35 1 6 0 0 0 36 35 1 6 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 36 41 1 0 0 0 0 40 42 1 1 0 0 0 39 43 1 6 0 0 0 44 43 1 6 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 48 49 1 0 0 0 0 44 49 1 0 0 0 0 49 50 1 1 0 0 0 48 51 1 6 0 0 0 52 51 1 1 0 0 0 52 53 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 52 56 1 0 0 0 0 54 57 1 6 0 0 0 54 58 1 1 0 0 0 58 59 1 0 0 0 0 53 60 1 6 0 0 0 52 61 1 6 0 0 0 47 62 1 1 0 0 0 38 63 1 6 0 0 0 37 64 1 1 0 0 0 33 65 1 6 0 0 0 32 66 1 6 0 0 0 11 67 1 1 0 0 0 8 68 1 6 0 0 0 5 69 1 6 0 0 0 3 70 1 6 0 0 0 3 71 1 1 0 0 0 71 72 1 0 0 0 0 2 73 1 6 0 0 0 74 73 1 6 0 0 0 74 75 1 0 0 0 0 75 76 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 74 79 1 0 0 0 0 79 80 1 1 0 0 0 78 81 1 6 0 0 0 77 82 1 1 0 0 0 76 83 1 6 0 0 0 83 84 1 0 0 0 0 1 85 1 6 0 0 0 M END > NP0071663 > NP-MRD > C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@]2(O)OC[C@](O)(CO)[C@H]2O)[C@H]1O > InChI=1S/C57H92O28/c1-23-40(81-44-39(71)41(28(63)19-76-44)85-57(75)48(72)55(74,21-60)22-78-57)36(68)38(70)45(79-23)82-42-33(65)27(62)18-77-47(42)84-49(73)56-13-12-50(2,3)14-25(56)24-8-9-31-51(4)15-26(61)43(83-46-37(69)35(67)34(66)29(17-58)80-46)52(5,20-59)30(51)10-11-53(31,6)54(24,7)16-32(56)64/h8,23,25-48,58-72,74-75H,9-22H2,1-7H3/t23-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36+,37+,38+,39+,40-,41-,42-,43-,44-,45-,46-,47-,48+,51-,52-,53+,54+,55+,56+,57+/m0/s1 > DJPJACADAIGMKF-CTELNEMLSA-N > C57H92O28 > 1225.335 > 1224.577512322 > 27 > 177 > 127.61649368536794 > 0 > 17 > 0 > 0 > (2S,3S,4S,5S)-3-{[(2S,3R,4R,5R,6S)-5-{[(2S,3R,4S,5R)-3,5-dihydroxy-4-{[(2R,3R,4R)-2,3,4-trihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl (4aR,5R,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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 > -0.23 > -3.9229031013333326 > -2.51 > 1 > 10 > 0 > 11.581064366093667 > 10.240310992784714 > -3.6799746288511637 > 453.28000000000014 > 283.49860000000007 > 14 > 0 > 3.79e+00 g/l > (2S,3S,4S,5S)-3-{[(2S,3R,4R,5R,6S)-5-{[(2S,3R,4S,5R)-3,5-dihydroxy-4-{[(2R,3R,4R)-2,3,4-trihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl (4aR,5R,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate > 0 > NP0071663 > Polygalacin D $$$$