Mrv1533004241516182D 64 71 0 0 0 0 999 V2000 0.4452 -3.0106 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 -0.1105 -4.5375 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 1.1270 -5.2520 0.0000 C 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 1.5395 -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 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 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 5.2520 -6.6809 0.0000 O 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 1.1270 -6.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -7.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -8.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -8.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -7.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -8.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -9.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -8.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -9.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -8.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -8.1099 0.0000 O 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 0.3020 -6.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -5.2520 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 -2.1730 -6.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -8.1099 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 2 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 6 8 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 10 12 1 0 0 0 0 12 13 2 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 16 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 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 22 31 1 0 0 0 0 31 32 1 0 0 0 0 20 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 16 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 10 40 1 0 0 0 0 15 40 1 0 0 0 0 40 41 1 0 0 0 0 12 42 1 0 0 0 0 6 42 1 0 0 0 0 42 43 1 0 0 0 0 2 43 1 0 0 0 0 8 44 1 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 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 50 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 45 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 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 59 60 1 0 0 0 0 59 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 56 63 1 0 0 0 0 63 64 1 0 0 0 0 M END > NP0310125 > NP-MRD > CC1(C)CCC2(C)C(CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5C(O)CC34C)C2C1)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O > InChI=1S/C47H78O17/c1-42(2)13-14-44(5)22(15-42)21-9-10-27-45(6)12-11-28(62-40-36(58)33(55)31(53)25(18-48)60-40)43(3,4)38(45)23(50)16-47(27,8)46(21,7)17-29(44)63-41-37(34(56)32(54)26(19-49)61-41)64-39-35(57)30(52)24(51)20-59-39/h9,22-41,48-58H,10-20H2,1-8H3 > DUGZPYKUJPQFQZ-UHFFFAOYSA-N > C47H78O17 > 915.124 > 914.523901052 > 17 > 142 > 99.91992335937869 > 0 > 11 > 0 > 0 > 2-[(8-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 1.33 > 0.18139297533333262 > -3.43 > 1 > 8 > 0 > 12.333143240984185 > 11.861670719443042 > -3.5265806826167294 > 277.90999999999997 > 226.2927000000001 > 8 > 0 > 3.38e-01 g/l > 2-[(8-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0310125 > 2-[(8-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol $$$$