Mrv0541 02241220342D 68 75 0 0 0 0 999 V2000 -1.4292 -1.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 -2.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 -1.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5713 -2.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -3.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 -1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5713 -0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2862 -1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2862 -1.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0012 -2.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7147 -1.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7147 -1.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4297 -0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4297 0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 0.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8202 -3.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -3.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9146 -2.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4297 -3.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4297 -2.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -1.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8583 -0.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 1.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 -0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 1.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 -0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 -1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 -0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8583 -2.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1849 2.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 2.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 0.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5727 0.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2863 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.9095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7162 1.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7162 2.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 2.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 3.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 -1.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5727 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2863 -1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 0.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 1.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 2.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5727 -2.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 0.9095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 -1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 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 21 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 18 19 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 22 39 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 34 1 0 0 0 0 27 28 2 0 0 0 0 27 37 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 37 1 0 0 0 0 31 68 1 0 0 0 0 32 33 1 0 0 0 0 32 41 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 44 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 40 41 1 0 0 0 0 41 42 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 57 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 59 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 62 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 64 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 66 1 0 0 0 0 59 60 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 67 1 0 0 0 0 64 65 1 0 0 0 0 M END > CHEM029186 > chemdb > CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C48H76O20/c1-43(2)13-15-48(42(62)68-40-37(59)34(56)31(53)25(66-40)20-63-38-35(57)32(54)29(51)23(18-49)64-38)16-14-45(4)21(22(48)17-43)7-8-26-44(3)11-10-28(47(6,41(60)61)27(44)9-12-46(26,45)5)67-39-36(58)33(55)30(52)24(19-50)65-39/h7,22-40,49-59H,8-20H2,1-6H3,(H,60,61) > SDSUINASRZZKPO-UHFFFAOYSA-N > C48H76O20 > 973.105 > 972.492994872 > 19 > 102.9565509928108 > 0 > 12 > 0 > 0 > 4,6a,6b,11,11,14b-hexamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8a-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid > 1.05 > -0.023213352333334936 > -3.18 > 1 > 8 > -1 > 11.773419324899299 > 4.285789948560288 > -3.648688400147722 > 332.28 > 232.5995000000001 > 11 > 0 > 6.49e-01 g/l > 4,6a,6b,11,11,14b-hexamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8a-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid > 0 > Azukisaponin IV > 82793-04-2 $$$$