Mrv0541 02241209122D 76 85 0 0 0 0 999 V2000 4.7093 5.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0411 4.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2877 5.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2011 5.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8693 6.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6227 6.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2894 6.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 2.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 3.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 3.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 4.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 4.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 4.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3205 5.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 3.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0188 3.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5028 4.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0188 4.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5028 5.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2484 6.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 4.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 3.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 3.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 3.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0526 3.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2877 4.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0526 1.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 2.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 1.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 2.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 1.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 1.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0526 1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 0.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 -0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0526 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7661 -0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7661 0.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 -1.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0526 -1.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 -0.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 1.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 -1.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 -1.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 -1.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 -2.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 -2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 -2.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 -1.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -1.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 -2.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 -3.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2671 -3.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6949 -4.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0199 -3.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7335 -4.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7335 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0199 -5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6949 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4483 -3.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1632 -4.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4483 -5.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0199 -6.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4097 -5.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4527 -4.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 -4.4253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 -5.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7386 -5.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9646 -5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8203 -4.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0463 -4.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 -6.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8829 -6.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1465 -5.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2894 -6.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 3 26 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 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 22 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 13 15 1 0 0 0 0 13 18 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 26 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 27 28 1 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 43 1 0 0 0 0 35 36 1 0 0 0 0 35 42 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 41 44 1 0 0 0 0 44 45 1 0 0 0 0 44 49 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 50 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 48 49 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 51 1 0 0 0 0 53 55 1 0 0 0 0 54 66 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 57 61 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 62 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 68 75 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 70 71 1 0 0 0 0 70 73 1 0 0 0 0 71 72 1 0 0 0 0 75 76 1 0 0 0 0 M END > CHEM027619 > chemdb > CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1 > InChI=1S/C51H84O25/c1-18-5-8-51(67-17-18)19(2)32-27(76-51)10-22-20-9-24(56)23-11-26(25(57)12-50(23,4)21(20)6-7-49(22,32)3)68-45-41(66)38(63)42(31(16-55)72-45)73-48-44(75-47-40(65)37(62)34(59)29(14-53)70-47)43(35(60)30(15-54)71-48)74-46-39(64)36(61)33(58)28(13-52)69-46/h18-48,52-66H,5-17H2,1-4H3 > IFCJNJJMBPXNRD-UHFFFAOYSA-N > C51H84O25 > 1097.1977 > 1096.530168238 > 25 > 113.36957351835026 > 0 > 15 > 0 > 0 > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15',19'-dioloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > -1.23 > -4.134126051333329 > -2.22 > 1 > 10 > 0 > 12.192816385216195 > 11.754279523599475 > -3.648377595760352 > 395.75000000000006 > 252.02310000000008 > 12 > 0 > 6.59e+00 g/l > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15',19'-dioloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Yayoisaponin C > 218934-75-9 $$$$