Mrv1533004171522082D 85 94 0 0 0 0 999 V2000 -4.2355 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -6.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -6.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 -5.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -6.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 -7.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -8.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 -8.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -8.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -7.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -6.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -5.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -6.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 -3.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 -3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -3.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -3.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -0.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -1.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -3.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 -3.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8522 -5.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9955 -6.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9337 -6.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5657 -6.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 -6.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 -6.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2355 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2355 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 -5.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 -6.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 -7.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 -8.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -8.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 -8.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5355 -7.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 -8.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6125 -8.8635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2256 -9.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9400 -9.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2756 -9.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7247 -8.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3378 -9.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7685 -8.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3205 -7.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -6.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 -5.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 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 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 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 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 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 38 39 1 0 0 0 0 39 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 36 45 1 0 0 0 0 45 46 1 0 0 0 0 34 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 47 50 1 0 0 0 0 50 51 1 0 0 0 0 47 52 1 0 0 0 0 29 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 28 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 25 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 17 60 1 0 0 0 0 60 61 1 0 0 0 0 4 62 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 2 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 1 0 0 0 0 80 81 1 0 0 0 0 78 82 1 0 0 0 0 75 82 1 0 0 0 0 82 83 1 0 0 0 0 73 84 1 0 0 0 0 68 84 1 0 0 0 0 84 85 1 0 0 0 0 M END > NP0137315 > NP-MRD > CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(CO)(CO)C5CCC4(C)C2(C)CC3O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O > InChI=1S/C57H92O28/c1-23-40(81-45-39(72)41(28(64)18-76-45)82-49-43(73)56(75,21-61)22-78-49)36(69)38(71)46(79-23)83-42-33(66)27(63)17-77-48(42)85-50(74)57-12-11-51(2,3)13-25(57)24-7-8-30-52(4)14-26(62)44(84-47-37(70)35(68)34(67)29(16-58)80-47)55(19-59,20-60)31(52)9-10-53(30,5)54(24,6)15-32(57)65/h7,23,25-49,58-73,75H,8-22H2,1-6H3 > CYBWUNOAQPMRBA-UHFFFAOYSA-N > C57H92O28 > 1225.335 > 1224.577512322 > 27 > 177 > 126.29065920398207 > 0 > 17 > 0 > 0 > 3-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl 5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-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 > -0.68 > -4.821917793666664 > -2.41 > 1 > 10 > 0 > 11.972731073184349 > 11.530191556256037 > -3.6786206200306486 > 453.28000000000014 > 282.92350000000005 > 15 > 0 > 4.82e+00 g/l > 3-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl 5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-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 > NP0137315 > Platycodin D $$$$