Mrv0541 02241207412D 64 72 0 0 0 0 999 V2000 -1.4152 1.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4152 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7011 0.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0117 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0117 1.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7011 2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7245 0.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4387 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4387 1.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7245 2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4387 3.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7245 2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9275 1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 2.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9275 3.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2072 2.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 3.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 4.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 3.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1308 0.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1139 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2896 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0117 2.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4387 2.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 4.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2545 3.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9714 3.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6884 3.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9714 2.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 1.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6169 1.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8477 0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 0.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2802 0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2802 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 -1.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8477 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1308 -1.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 -1.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9972 -1.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 -1.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0813 -2.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5378 -3.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7217 -3.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4562 -2.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9997 -1.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1796 -3.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 -4.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8931 -2.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1673 -2.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9972 -2.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4224 -3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0646 -4.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2417 -4.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8165 -3.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5256 -4.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8674 -4.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9922 -3.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2480 -3.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3556 -2.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6884 -3.9535 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 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 25 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 9 26 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 33 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 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 22 35 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 35 40 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 38 43 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 41 44 1 0 0 0 0 42 53 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 45 52 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 47 50 1 0 0 0 0 48 49 1 0 0 0 0 48 63 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 62 1 0 0 0 0 56 57 1 0 0 0 0 56 59 1 0 0 0 0 57 58 1 0 0 0 0 57 60 1 0 0 0 0 58 61 1 0 0 0 0 62 64 1 0 0 0 0 M END > CHEM032409 > chemdb > CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC54CO7)OC(CC6(C)O)C=C(C)C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C47H76O17/c1-21(2)15-23-16-45(8,56)38-24-9-10-28-43(6)13-12-29(42(4,5)27(43)11-14-44(28,7)46(24)19-47(38,64-23)58-20-46)61-41-37(63-39-34(54)32(52)30(50)22(3)59-39)36(25(49)18-57-41)62-40-35(55)33(53)31(51)26(17-48)60-40/h15,22-41,48-56H,9-14,16-20H2,1-8H3 > WLTXBTSNYDYARD-UHFFFAOYSA-N > C47H76O17 > 913.0961 > 912.508251006 > 17 > 99.1285282222968 > 0 > 9 > 0 > 0 > 2-[(5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol > 1.16 > 1.286095872000001 > -3.53 > 1 > 9 > 0 > 12.404249760386083 > 11.89909786920885 > -3.0105410470324854 > 255.90999999999997 > 224.54510000000005 > 8 > 0 > 2.69e-01 g/l > 2-[(5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol > 0 > Hoduloside III > 146503-30-2 > Zizyphussaponin II $$$$