Mrv1533004241503042D 58 66 0 0 0 0 999 V2000 5.6501 3.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9701 3.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8143 3.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1171 2.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4219 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 1.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4339 1.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2266 1.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9490 0.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3474 1.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5507 0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6715 0.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3777 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1002 0.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3615 1.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0887 1.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0844 0.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4035 1.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6021 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3713 0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5699 0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9994 1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1981 0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5303 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5121 0.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6276 1.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8585 2.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 2.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 2.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2626 2.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0639 3.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6355 2.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9430 3.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 2.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 1.2579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4047 0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 -0.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0651 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8664 -1.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0973 -1.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 -0.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2383 -0.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7765 0.8657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5456 1.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7443 1.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 2.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 2.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5189 3.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0839 3.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 4.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8852 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4557 3.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1161 2.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9175 2.0577 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 7 8 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 6 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 18 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 24 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 20 32 1 0 0 0 0 30 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 18 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 2 37 1 0 0 0 0 6 37 1 0 0 0 0 27 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 39 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 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 50 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 48 57 1 0 0 0 0 57 58 1 0 0 0 0 M END > NP0151347 > NP-MRD > CC1CC2OC3(OC2C(C)(C)OC(C)=O)C(O)C2(C)C4CCC5C6(CC46CCC2(C)C13)CCC(OC1OCC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C5(C)C > InChI=1S/C43H68O15/c1-19-15-22-33(38(5,6)56-20(2)45)58-43(57-22)32(19)39(7)13-14-42-18-41(42)12-11-26(37(3,4)24(41)9-10-25(42)40(39,8)36(43)51)54-35-31(27(47)21(46)17-52-35)55-34-30(50)29(49)28(48)23(16-44)53-34/h19,21-36,44,46-51H,9-18H2,1-8H3 > XWZIOEXOWFDMDQ-UHFFFAOYSA-N > C43H68O15 > 825.002 > 824.45582149 > 14 > 126 > 90.07425953282305 > 0 > 7 > 0 > 0 > 2-{9-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-hydroxy-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-22-yl}propan-2-yl acetate > 2.18 > 1.653720448666667 > -3.97 > 1 > 9 > 0 > 12.579374891814656 > 12.043260115709565 > -2.9810835766873343 > 223.28999999999996 > 201.0602 > 8 > 0 > 8.83e-02 g/l > 2-{9-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-hydroxy-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-22-yl}propan-2-yl acetate > 0 > NP0151347 > 2-{9-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-hydroxy-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-22-yl}propan-2-yl acetate $$$$