Mrv0541 05061311132D 64 70 0 0 0 0 999 V2000 2.4492 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8358 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0068 -0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7913 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 -1.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8364 -3.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 -2.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5351 -3.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0204 -2.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5359 -1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7511 -2.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 -1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3222 -2.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 -2.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0359 -3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 -2.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 -0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 -4.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 -4.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3932 -4.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3932 -3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3932 -2.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8916 1.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2781 1.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4937 1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -2.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8218 -3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8218 -4.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 -4.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2503 -4.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2503 -3.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9653 -2.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9653 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6802 -1.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9653 -5.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9653 -4.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6802 -4.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6802 -3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3937 -2.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3937 -4.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6376 -5.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -4.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5775 -5.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 -0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8538 -0.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1092 0.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1716 1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 2.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8754 2.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3237 3.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 4.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3862 4.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6416 5.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3563 -1.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4054 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 0.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7449 4.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 3.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6825 3.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2341 2.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7642 -1.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 2 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 4 10 1 0 0 0 0 4 44 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 15 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 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 36 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 38 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 56 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 58 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 62 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 53 61 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 57 64 1 0 0 0 0 58 59 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > CHEM032876 > chemdb > CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C > InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)33(52)26(19-48)61-41/h10,23-42,48-58H,9,11-21H2,1-8H3 > ZTQSADJAYQOCDD-UHFFFAOYSA-N > C47H80O17 > 917.1279 > 916.539551134 > 17 > 100.35045156581721 > 0 > 11 > 0 > 0 > 2-{[2-(16-hydroxy-2,6,6,10,11-pentamethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol > 1.12 > 0.8497658100000014 > -3.69 > 1 > 7 > 0 > 12.20254607278125 > 11.757522801319347 > -3.648377536839617 > 277.90999999999997 > 228.5133000000001 > 12 > 0 > 1.89e-01 g/l > 2-{[2-(16-hydroxy-2,6,6,10,11-pentamethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol > 0 > Gynosaponin I > 80321-63-7 $$$$