Mrv1652309122216242D 54 60 0 0 1 0 999 V2000 0.6857 2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4978 2.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0296 3.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 1.6739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5902 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 0.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4023 1.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6190 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 -0.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3228 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2939 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1111 -0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6175 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3066 -2.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 -2.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4893 -2.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 -1.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.6076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7422 1.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8069 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.5577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9098 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 0.0722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1613 -0.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4128 -2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 -2.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5052 -1.1892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0370 -1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8492 -1.6747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1295 -0.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9416 -0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2219 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6901 0.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4734 -1.3843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2855 -1.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1931 -2.1602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7249 -2.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1007 -3.0813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7855 -0.4133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5976 -0.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 0.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 14 20 2 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 6 23 1 0 0 0 0 11 23 1 0 0 0 0 23 24 1 6 0 0 0 8 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 6 0 0 0 31 30 1 6 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 40 43 1 0 0 0 0 43 44 1 6 0 0 0 43 45 1 0 0 0 0 45 46 1 1 0 0 0 45 47 1 0 0 0 0 38 47 1 0 0 0 0 47 48 1 0 0 0 0 36 49 1 0 0 0 0 49 50 1 6 0 0 0 49 51 1 0 0 0 0 31 51 1 0 0 0 0 51 52 1 0 0 0 0 29 53 1 0 0 0 0 53 54 2 0 0 0 0 4 54 1 0 0 0 0 25 54 1 0 0 0 0 M END > NP0329736 > NP-MRD > CC(=O)[C@@H]1C[C@]2(O)[C@H](CC[C@]3(C)[C@H](CC[C@]23O)C2=COC(=O)C=C2)[C@@]2(C)CC[C@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C=C12 > InChI=1S/C38H54O16/c1-17(41)20-13-37(48)25(8-10-36(3)21(7-11-38(36,37)49)18-4-5-26(42)50-16-18)35(2)9-6-19(12-22(20)35)51-33-31(47)29(45)32(24(15-40)53-33)54-34-30(46)28(44)27(43)23(14-39)52-34/h4-5,12,16,19-21,23-25,27-34,39-40,43-49H,6-11,13-15H2,1-3H3/t19-,20-,21+,23?,24?,25+,27+,28-,29+,30?,31?,32+,33+,34-,35-,36+,37-,38+/m0/s1 > UJOADTPCXQMFOK-XFJKCCJTSA-N > C38H54O16 > 766.834 > 766.341185659 > 15 > 108 > 78.19414597917495 > 0 > 9 > 0 > 0 > 5-[(1R,2R,5S,8R,10S,11R,14S,15R)-8-acetyl-5-{[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-10,11-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]-2H-pyran-2-one > -1.9656040780000017 > 1 > 7 > 0 > 12.377557554593988 > 11.888370818157597 > -3.486057589281897 > 262.35999999999996 > 185.17640000000003 > 8 > 0 > 5-[(1R,2R,5S,8R,10S,11R,14S,15R)-8-acetyl-5-{[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-10,11-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]pyran-2-one > 0 > NP0329736 > glucoscilliroside $$$$