Mrv1533004161520292D 58 65 0 0 0 0 999 V2000 -0.9503 -1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3707 -1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4276 -1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0072 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7983 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4185 0.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 0.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2111 0.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5884 0.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2035 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3246 1.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2426 -0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6803 -1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4993 -1.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8575 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6811 -0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3102 -1.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1338 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9575 -1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3284 -0.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1521 -0.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5230 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0703 1.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4413 1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9886 2.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3595 3.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9068 4.0267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2171 3.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 4.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5966 4.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2649 1.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6359 2.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7176 1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5413 1.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9940 0.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7021 -0.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3457 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3066 -1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5733 -1.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0354 -0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8071 -0.5015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8180 0.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3341 1.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3467 0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7994 -0.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8757 0.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6336 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6862 1.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0521 0.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5994 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7757 0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4048 0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 -1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3838 -1.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6397 -1.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5893 -0.5403 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 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 7 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 7 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 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 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 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 27 29 2 0 0 0 0 27 30 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 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 38 39 1 0 0 0 0 37 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 35 42 1 0 0 0 0 42 43 1 0 0 0 0 33 44 1 0 0 0 0 22 44 1 0 0 0 0 44 45 1 0 0 0 0 20 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 16 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 9 52 1 0 0 0 0 15 52 1 0 0 0 0 52 53 1 0 0 0 0 12 54 1 0 0 0 0 7 54 1 0 0 0 0 54 55 1 0 0 0 0 4 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 2 58 1 0 0 0 0 M END > NP0182338 > NP-MRD > CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OC(COS(O)(=O)=O)C(O)C(OC7OC(CO)C(O)C7O)C6O)C(C)(C)C5CCC42C)C3C1(C)O > InChI=1S/C41H66O16S/c1-20(2)14-21-16-51-41-18-40(19-52-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-35-31(46)32(29(44)24(55-35)17-53-58(48,49)50)57-34-30(45)28(43)23(15-42)54-34/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50) > JTWVMELOPRBCGZ-UHFFFAOYSA-N > C41H66O16S > 847.02 > 846.407157219 > 15 > 124 > 91.24915084260347 > 0 > 7 > 0 > 0 > [(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-{[16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-2-yl)methoxy]sulfonic acid > 1.12 > 0.04820756820221119 > -3.53 > 1 > 8 > -1 > 11.972903062615385 > -1.9890792391552514 > -2.981143480904505 > 240.35999999999996 > 203.8959000000001 > 9 > 0 > 2.48e-01 g/l > (4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-{[16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-2-yl)methoxysulfonic acid > 0 > NP0182338 > (4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-{[16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-2-yl)methoxysulfonic acid $$$$