Mrv1533004251507252D 66 73 0 0 0 0 999 V2000 -6.2980 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -5.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -6.6809 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 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 -5.2520 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 -3.8230 -5.2520 0.0000 O 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 -7.3954 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 -1.3480 -6.6809 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 1.5395 -5.9664 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 2.7770 -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 2.3645 -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 -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 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 5.9337 -6.0644 0.0000 C 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 3.6882 -6.0725 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 1.1270 -3.8230 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 0.4452 -3.0106 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 -0.1105 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -4.5375 0.0000 O 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 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.3954 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 -8.8243 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 -4.2355 -7.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 -7.3954 0.0000 C 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 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5355 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 -6.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7730 -5.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5355 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 -3.8230 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 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 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 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 29 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 23 41 1 0 0 0 0 28 41 1 0 0 0 0 41 42 1 0 0 0 0 25 43 1 0 0 0 0 20 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 20 50 1 0 0 0 0 16 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 14 55 1 0 0 0 0 55 56 1 0 0 0 0 11 57 1 0 0 0 0 57 58 1 0 0 0 0 6 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 4 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 2 65 1 0 0 0 0 65 66 1 0 0 0 0 M END > NP0329892 > NP-MRD > CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC6(C)C(=CC=C7C8(C)CCC(=O)C(C)(C)C8CCC67C)C4CC(C)(C)C(=O)C5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O > InChI=1S/C48H72O18/c1-21-30(52)32(54)35(57)40(62-21)65-38-24(19-49)63-39(37(59)34(38)56)61-20-25-31(53)33(55)36(58)41(64-25)66-42(60)48-16-15-46(7)22(23(48)17-43(2,3)29(51)18-48)9-10-27-45(6)13-12-28(50)44(4,5)26(45)11-14-47(27,46)8/h9-10,21,23-26,30-41,49,52-59H,11-20H2,1-8H3 > HQHPGJDVUZNSTL-UHFFFAOYSA-N > C48H72O18 > 937.086 > 936.471865478 > 17 > 138 > 99.35056900528022 > 0 > 9 > 0 > 0 > 6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 2,2,6a,6b,9,9,12a-heptamethyl-3,10-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-octadecahydropicene-4a-carboxylate > 2.52 > 1.3226688783333338 > -3.47 > 1 > 8 > 0 > 12.201051854199365 > 11.754329952935095 > -3.6121826089009508 > 288.65999999999997 > 230.0595000000001 > 9 > 0 > 3.20e-01 g/l > 6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 2,2,6a,6b,9,9,12a-heptamethyl-3,10-dioxo-1,4,5,6,7,8,8a,11,12,14b-decahydropicene-4a-carboxylate > 0 > NP0329892 > 6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 2,2,6a,6b,9,9,12a-heptamethyl-3,10-dioxo-1,4,5,6,7,8,8a,11,12,14b-decahydropicene-4a-carboxylate $$$$