Mrv1533004191520342D 62 70 0 0 0 0 999 V2000 -0.1922 -0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 -0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3861 -1.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2097 -1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -2.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1266 -2.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9327 -2.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1091 -2.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2611 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 -2.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3617 -1.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -1.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5556 -1.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0089 -1.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6386 -2.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2253 -3.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9582 -2.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 -2.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1441 -2.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4353 -1.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2494 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7723 -1.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5863 -1.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 -2.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 -2.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5574 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 -0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 -1.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 -2.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4447 -3.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6211 -3.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1678 -2.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 -2.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 -3.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -4.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 -5.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0569 -4.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0436 -4.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4139 -5.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -3.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 -3.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6908 -4.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 -5.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6078 -5.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1544 -6.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3308 -6.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4314 -5.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8017 -6.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8847 -5.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7083 -5.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5144 -4.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9677 -3.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4866 -0.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2927 -0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 0.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4691 -0.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0988 0.6947 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 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 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 17 18 1 0 0 0 0 17 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 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 23 29 1 0 0 0 0 23 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 17 32 1 0 0 0 0 21 32 1 0 0 0 0 19 33 1 0 0 0 0 14 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 12 36 1 0 0 0 0 36 37 1 0 0 0 0 9 37 1 0 0 0 0 7 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 39 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 6 44 1 0 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 49 50 1 0 0 0 0 48 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 46 55 1 0 0 0 0 55 56 1 0 0 0 0 4 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 2 61 1 0 0 0 0 61 62 1 0 0 0 0 M END > NP0177007 > NP-MRD > CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(=C)CO1 > InChI=1S/C45H70O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,20-21,23-42,46-54H,1,7-18H2,2-5H3 > OWBQRHWTHXHYCE-UHFFFAOYSA-N > C45H70O17 > 883.038 > 882.461300794 > 17 > 132 > 95.61703728688236 > 0 > 9 > 0 > 0 > 2-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 0.37 > 0.39201640266666593 > -3.27 > 1 > 9 > 0 > 12.375797226162028 > 11.8846738204158 > -2.98109099242616 > 255.90999999999997 > 215.66260000000003 > 8 > 0 > 4.79e-01 g/l > 2-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 0 > NP0177007 > 2-{[3-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol $$$$