Mrv1533004231522472D 61 69 0 0 0 0 999 V2000 8.5863 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7723 0.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2494 -0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4353 -0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1441 0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 1.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 1.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9582 1.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2253 1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6386 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 1.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3617 0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5556 -0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0089 0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -0.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5574 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 -0.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 -0.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2611 -0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1091 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 1.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1678 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6211 1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4447 1.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 2.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9327 0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 1.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 2.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 3.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 4.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0436 2.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4139 3.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 3.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7604 2.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5289 3.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2233 2.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9562 3.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4809 3.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 4.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 4.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3827 4.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 2.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 2.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1266 1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 0.6043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4036 0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7738 1.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5974 1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9677 2.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0508 0.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8744 0.7960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6805 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1338 -0.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8569 -0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4866 -0.7743 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 2 7 1 0 0 0 0 5 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 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 9 18 1 0 0 0 0 18 19 1 0 0 0 0 5 19 1 0 0 0 0 19 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 21 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 21 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 12 29 1 0 0 0 0 29 30 2 0 0 0 0 25 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 34 35 1 0 0 0 0 35 36 1 0 0 0 0 34 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 41 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 37 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 32 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 52 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > NP0278422 > NP-MRD > CC1C2C(CC3C4C(CCC23C)C2(C)CCC(CC2=CC4=O)OC2OC(CO)C(OC3OC(CO)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1 > InChI=1S/C44H68O17/c1-18-6-11-44(54-17-18)19(2)30-26(61-44)14-24-29-23(8-10-43(24,30)5)42(4)9-7-22(12-21(42)13-25(29)47)56-41-38(60-39-35(52)33(50)31(48)20(3)55-39)36(53)37(28(16-46)58-41)59-40-34(51)32(49)27(15-45)57-40/h13,18-20,22-24,26-41,45-46,48-53H,6-12,14-17H2,1-5H3 > BSGKCEAVSSADJL-UHFFFAOYSA-N > C44H68O17 > 869.011 > 868.44565073 > 17 > 129 > 93.9124122934979 > 0 > 8 > 0 > 0 > 16'-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-20'-one > 0.72 > 0.7285380286666658 > -3.25 > 1 > 9 > 0 > 12.409124954648998 > 11.906937265892253 > -2.9811434808636887 > 252.74999999999994 > 210.64360000000005 > 8 > 0 > 4.93e-01 g/l > 16'-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-20'-one > 0 > NP0278422 > 16'-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-20'-one $$$$