Mrv1533004231517332D 55 61 0 0 0 0 999 V2000 6.4223 -1.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7026 -0.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5148 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7951 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8269 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 1.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 0.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4155 1.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 2.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0462 2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2351 -0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0452 -1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8377 -1.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 -2.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 -1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6072 0.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1390 -0.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9511 -0.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4829 -0.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8587 -1.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3905 -1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1102 -2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2981 -2.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0178 -3.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2057 -3.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 -3.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5496 -4.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2693 -4.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3617 -4.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8936 -4.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 -3.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 -3.0813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0466 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7663 -2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -2.2555 0.0000 C 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 9 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 9 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 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 14 23 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 21 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 20 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 29 34 1 0 0 0 0 11 35 1 0 0 0 0 6 35 1 0 0 0 0 4 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 44 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 42 51 1 0 0 0 0 51 52 1 0 0 0 0 40 53 1 0 0 0 0 3 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 M END > NP0158720 > NP-MRD > COC1C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(CC43O)OC(C)=O)C3=CC(=O)OC3)C2)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC > InChI=1S/C39H60O16/c1-18(42)51-24-14-39(47)23-7-6-20-13-21(8-10-37(20,2)22(23)9-11-38(39,3)28(24)19-12-27(43)50-17-19)52-36-34(49-5)33(48-4)32(26(16-41)54-36)55-35-31(46)30(45)29(44)25(15-40)53-35/h12,20-26,28-36,40-41,44-47H,6-11,13-17H2,1-5H3 > XQHGTOXWYWXDLW-UHFFFAOYSA-N > C39H60O16 > 784.893 > 784.388135852 > 14 > 115 > 83.13560501119372 > 0 > 6 > 0 > 0 > 11-hydroxy-5-{[6-(hydroxymethyl)-3,4-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-yl acetate > 0.45 > -0.12849708966666756 > -3.34 > 1 > 7 > -1 > 12.202644295540534 > 6.819475560606612 > -2.981083565302428 > 229.35999999999996 > 188.67 > 11 > 0 > 3.62e-01 g/l > 11-hydroxy-5-{[6-(hydroxymethyl)-3,4-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,15-dimethyl-14-(5-oxo-2H-furan-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-yl acetate > 0 > NP0158720 > 3a-hydroxy-7-{[6-(hydroxymethyl)-3,4-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate $$$$