Mrv0541 05061305542D 67 74 0 0 0 0 999 V2000 -2.8570 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5719 -1.7709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4285 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6742 -2.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6127 -2.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4285 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4285 0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7149 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7149 0.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4284 -0.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4284 1.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 1.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4284 1.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 1.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6742 2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6128 2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2869 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 -0.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 0.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8946 -3.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2869 -0.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0005 -1.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0005 -0.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5719 -0.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7154 -0.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0005 0.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7154 -1.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4304 -0.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4304 -1.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1440 -1.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5719 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2869 1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 1.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2869 1.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5719 2.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0005 2.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 1.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5719 3.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 2.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 0.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0005 3.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0006 0.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0006 -0.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -0.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7155 -0.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0006 -1.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7155 0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4305 -0.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4305 0.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 0.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0095 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4356 -1.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 30 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 8 34 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 67 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 66 1 0 0 0 0 16 19 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 24 31 2 0 0 0 0 24 32 1 0 0 0 0 25 27 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 30 35 1 0 0 0 0 30 36 1 0 0 0 0 32 33 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 41 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 38 45 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 47 51 1 0 0 0 0 47 54 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 50 55 1 0 0 0 0 51 53 1 0 0 0 0 56 58 1 0 0 0 0 56 59 1 0 0 0 0 57 62 1 0 0 0 0 58 60 1 0 0 0 0 58 61 1 0 0 0 0 60 62 1 0 0 0 0 60 63 1 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 M END > CHEM025246 > chemdb > CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O > InChI=1S/C48H76O19/c1-43(2)13-15-48(42(61)67-40-37(60)34(57)31(54)25(19-50)63-40)16-14-46(5)22(23(48)17-43)7-8-28-44(3)11-10-29(45(4,21-52)27(44)9-12-47(28,46)6)65-41-38(35(58)32(55)26(20-51)64-41)66-39-36(59)33(56)30(53)24(18-49)62-39/h7,21,23-41,49-51,53-60H,8-20H2,1-6H3 > LWMKKJBQNOLSBE-UHFFFAOYSA-N > C48H76O19 > 957.1056 > 956.49808025 > 18 > 101.37710267449546 > 0 > 11 > 0 > 0 > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-formyl-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate > 1.56 > -0.18182960466666787 > -3.30 > 1 > 8 > 0 > 12.30819642142124 > 11.84107580779952 > -3.6483775957536517 > 312.04999999999995 > 231.67410000000007 > 11 > 0 > 4.79e-01 g/l > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-formyl-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate > 0 > Lucyoside L > 100179-68-8 $$$$