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0 0 0 0 0 0 0 0 0 -0.6510 -1.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4937 0.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2069 -0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4925 -2.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6359 -0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3503 -0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7793 0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0661 6.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 -5.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2443 -3.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4951 6.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6523 -0.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9634 -1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0661 -1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9240 5.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6523 -2.0448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6371 6.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2233 -4.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2082 5.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2822 -3.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0661 0.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9240 3.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2233 -2.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2082 3.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2793 -2.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0661 3.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7944 -0.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 0.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 0.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4937 -0.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7806 4.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5089 -0.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9227 -0.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0661 1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3516 4.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 -4.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0635 -2.0448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4950 2.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7944 -2.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6371 2.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6371 1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3654 -2.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2082 0.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 9 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 16 15 1 0 0 0 0 24 1 1 0 0 0 0 25 2 1 0 0 0 0 26 9 2 0 0 0 0 27 17 1 0 0 0 0 27 26 1 0 0 0 0 28 21 1 0 0 0 0 29 22 1 0 0 0 0 30 19 1 0 0 0 0 31 20 1 0 0 0 0 32 11 1 0 0 0 0 33 10 1 0 0 0 0 34 18 1 0 0 0 0 35 12 1 0 0 0 0 36 24 1 0 0 0 0 37 28 1 0 0 0 0 38 29 1 0 0 0 0 39 30 1 0 0 0 0 40 31 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 43 36 1 0 0 0 0 44 37 1 0 0 0 0 45 38 1 0 0 0 0 46 41 1 0 0 0 0 47 42 1 0 0 0 0 50 25 1 0 0 0 0 50 48 1 0 0 0 0 51 49 1 0 0 0 0 52 49 1 0 0 0 0 53 43 1 0 0 0 0 54 48 1 0 0 0 0 55 51 1 0 0 0 0 56 52 1 0 0 0 0 57 44 1 0 0 0 0 58 45 1 0 0 0 0 59 46 1 0 0 0 0 60 47 1 0 0 0 0 61 54 1 0 0 0 0 62 53 1 0 0 0 0 63 55 1 0 0 0 0 65 3 1 0 0 0 0 65 4 1 0 0 0 0 65 15 1 0 0 0 0 65 17 1 0 0 0 0 66 5 1 0 0 0 0 66 13 1 0 0 0 0 66 32 1 0 0 0 0 66 33 1 0 0 0 0 67 6 1 0 0 0 0 67 23 1 0 0 0 0 67 32 1 0 0 0 0 67 35 1 0 0 0 0 68 7 1 0 0 0 0 68 14 1 0 0 0 0 68 33 1 0 0 0 0 69 8 1 0 0 0 0 69 18 1 0 0 0 0 69 26 1 0 0 0 0 69 68 1 0 0 0 0 70 16 1 0 0 0 0 70 27 1 0 0 0 0 70 34 1 0 0 0 0 70 64 1 0 0 0 0 71 19 1 0 0 0 0 72 20 1 0 0 0 0 73 23 2 0 0 0 0 74 28 1 0 0 0 0 75 29 1 0 0 0 0 76 34 1 0 0 0 0 77 36 1 0 0 0 0 78 37 1 0 0 0 0 79 38 1 0 0 0 0 80 39 1 0 0 0 0 81 40 1 0 0 0 0 82 41 1 0 0 0 0 83 42 1 0 0 0 0 84 43 1 0 0 0 0 85 44 1 0 0 0 0 86 45 1 0 0 0 0 87 46 1 0 0 0 0 88 47 1 0 0 0 0 89 48 1 0 0 0 0 90 49 1 0 0 0 0 91 56 2 0 0 0 0 92 56 1 0 0 0 0 93 64 2 0 0 0 0 94 21 1 0 0 0 0 94 57 1 0 0 0 0 95 22 1 0 0 0 0 95 58 1 0 0 0 0 96 24 1 0 0 0 0 96 62 1 0 0 0 0 97 25 1 0 0 0 0 97 61 1 0 0 0 0 98 30 1 0 0 0 0 98 59 1 0 0 0 0 99 31 1 0 0 0 0 99 60 1 0 0 0 0 100 35 1 0 0 0 0 100 63 1 0 0 0 0 101 50 1 0 0 0 0 101 57 1 0 0 0 0 102 51 1 0 0 0 0 102 58 1 0 0 0 0 103 52 1 0 0 0 0 103 63 1 0 0 0 0 104 54 1 0 0 0 0 104 59 1 0 0 0 0 105 53 1 0 0 0 0 105 61 1 0 0 0 0 106 55 1 0 0 0 0 106 60 1 0 0 0 0 107 62 1 0 0 0 0 107 64 1 0 0 0 0 M END > CHEM028441 > chemdb > CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O > InChI=1S/C70H110O37/c1-24-36(77)43(84)53(105-61-54(104-59-46(87)41(82)39(80)30(19-71)98-59)48(89)50(25(2)97-61)101-57-44(85)37(78)28(74)21-94-57)62(96-24)107-64(93)70-16-15-65(3,4)17-27(70)26-9-10-33-66(5)13-12-35(67(6,23-73)32(66)11-14-68(33,7)69(26,8)18-34(70)76)100-63-55(106-60-47(88)42(83)40(81)31(20-72)99-60)51(49(90)52(103-63)56(91)92)102-58-45(86)38(79)29(75)22-95-58/h9,23-25,27-55,57-63,71-72,74-90H,10-22H2,1-8H3,(H,91,92) > CXYICQJQCAFDTE-UHFFFAOYSA-N > C70H110O37 > 1543.6002 > 1542.672594534 > 36 > 155.74802433715263 > 0 > 20 > 0 > 0 > 6-({8a-[({4,5-dihydroxy-3-[(4-hydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)carbonyl]-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0.15 > -4.821218899000002 > -2.20 > 1 > 12 > -1 > 11.727291851832351 > 3.2818261818658985 > -3.6902614622956813 > 585.0300000000003 > 347.69779999999963 > 19 > 0 > 9.73e+00 g/l > 6-({8a-[({4,5-dihydroxy-3-[(4-hydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)carbonyl]-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > Silenoside C > 229484-45-1 $$$$