Mrv0541 05061305542D 82 91 0 0 0 0 999 V2000 -6.3176 -1.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3176 -2.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6041 -0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6041 -2.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0326 -2.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8892 -2.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1335 -3.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0734 -3.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8892 -1.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 -2.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 -0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4606 -2.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4606 -1.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7457 -0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 -0.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7457 -0.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0307 -1.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4606 0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0307 0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3171 -0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3171 -0.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9813 -1.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6027 -0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0307 1.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 1.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3171 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7865 2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8478 2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7462 -2.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 -0.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1117 -1.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7462 -1.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4611 -2.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4611 -0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1761 -1.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4611 -0.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1761 -2.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8898 -0.9128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8898 -2.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4611 -3.3877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1761 0.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1116 -2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 -1.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -2.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5405 -2.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5406 -1.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -2.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2551 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8263 -0.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 -0.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5409 0.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 -0.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8264 1.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9698 0.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 1.9742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 -0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6843 1.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6842 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 0.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1133 1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1131 -0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8276 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8277 0.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 -0.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1133 1.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9711 1.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6855 -0.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6856 0.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3999 -0.5015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4001 1.1485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9712 1.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8892 -0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6573 -1.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0481 -2.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 30 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 9 11 1 0 0 0 0 9 80 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 82 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 81 1 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 26 1 0 0 0 0 24 31 2 0 0 0 0 24 32 1 0 0 0 0 25 27 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 32 33 1 0 0 0 0 33 44 1 0 0 0 0 33 45 1 0 0 0 0 34 36 1 0 0 0 0 35 39 1 0 0 0 0 35 42 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 38 43 1 0 0 0 0 39 41 1 0 0 0 0 44 46 1 0 0 0 0 45 48 1 0 0 0 0 45 51 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 0 0 0 0 54 59 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 57 59 1 0 0 0 0 57 60 1 0 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 63 65 1 0 0 0 0 64 67 1 0 0 0 0 64 70 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 67 69 1 0 0 0 0 69 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 72 74 1 0 0 0 0 73 76 1 0 0 0 0 73 79 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 77 1 0 0 0 0 76 78 1 0 0 0 0 M END > CHEM025241 > chemdb > CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O > InChI=1S/C57H92O25/c1-23-43(79-47-42(71)44(28(61)22-74-47)80-46-39(68)34(63)26(59)20-73-46)38(67)41(70)48(76-23)81-45-35(64)27(60)21-75-50(45)82-51(72)57-16-15-52(2,3)17-25(57)24-9-10-31-54(6)13-12-33(78-49-40(69)37(66)36(65)29(19-58)77-49)53(4,5)30(54)11-14-55(31,7)56(24,8)18-32(57)62/h9,23,25-50,58-71H,10-22H2,1-8H3 > ZXFNMDBLCLWZIE-UHFFFAOYSA-N > C57H92O25 > 1177.3254 > 1176.592768494 > 24 > 121.88049094408464 > 0 > 14 > 0 > 0 > 3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate > 0.69 > -1.0494735170000011 > -2.98 > 1 > 10 > 0 > 12.083905309922587 > 11.674287314153279 > -3.6726867699727075 > 392.5900000000001 > 277.79319999999996 > 12 > 0 > 1.23e+00 g/l > 3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate > 0 > Asterlingulatoside D > 168324-02-5 $$$$