Mrv1652309022213432D 64 69 0 0 1 0 999 V2000 2.7386 0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4096 1.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1608 1.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3295 2.2447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0005 2.7246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6924 2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6493 1.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4275 2.6499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1977 2.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7169 2.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1954 3.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4706 3.4738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2533 3.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0095 3.4048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4187 4.5429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2014 4.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8186 4.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6013 4.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 5.0903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0855 5.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 6.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5567 6.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8408 7.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6536 7.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9376 8.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7504 8.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 7.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0920 7.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9952 6.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1824 6.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7439 6.3568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 7.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7118 7.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4906 7.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0622 7.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 8.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 9.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4263 9.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2511 9.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6474 10.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6796 9.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 8.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0943 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 6.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7763 5.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9579 5.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6393 6.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1791 6.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4977 7.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 8.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3166 8.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 8.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0949 5.0068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 4.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7093 4.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7045 3.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 2.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 2.2983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5292 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3071 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 3.4069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5783 2.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0885 1.9220 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 4 2 1 1 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 4 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 11 12 1 0 0 0 0 8 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 4 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 24 30 1 0 0 0 0 31 22 1 4 0 0 0 31 32 2 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 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 36 42 1 0 0 0 0 43 34 1 4 0 0 0 43 44 2 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 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 2 0 0 0 0 47 53 1 0 0 0 0 54 45 1 4 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 1 0 0 0 59 61 1 0 0 0 0 61 62 1 0 0 0 0 57 62 1 0 0 0 0 62 63 1 0 0 0 0 4 63 1 0 0 0 0 63 64 2 0 0 0 0 M END > NP0154763 > NP-MRD > CC(C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@@H](CCO)N=C(O)C(CC2=CC=C(O)C=C2)N=C(O)C(CC2=CC=C(O)C=C2)N=CC(CC2=CC=C(O)C=C2)N=C(O)C2C[C@H](C)CN2C1=O > InChI=1S/C47H59N7O10/c1-27(2)41-47(64)54-26-28(3)21-40(54)45(62)49-32(22-29-6-12-33(56)13-7-29)25-48-37(23-30-8-14-34(57)15-9-30)42(59)51-38(24-31-10-16-35(58)17-11-31)43(60)50-36(18-20-55)46(63)53-19-4-5-39(53)44(61)52-41/h6-17,25,27-28,32,36-41,55-58H,4-5,18-24,26H2,1-3H3,(H,49,62)(H,50,60)(H,51,59)(H,52,61)/t28-,32?,36+,37?,38?,39-,40?,41-/m0/s1 > DVUWQGYGLZYWGL-QCSTXCLLSA-N > C47H59N7O10 > 882.028 > 881.432341128 > 15 > 123 > 93.53725726497055 > 0 > 8 > 0 > 0 > (3S,6S,12R,26S)-5,14,17,23-tetrahydroxy-12-(2-hydroxyethyl)-15,18,21-tris[(4-hydroxyphenyl)methyl]-26-methyl-3-(propan-2-yl)-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0^{6,10}]heptacosa-4,13,16,19,22-pentaene-2,11-dione > 2.84 > 4.237314635799796 > -4.45 > 1 > 6 > 0 > 3.9264136800447718 > 3.131231478002713 > 3.5446169565248575 > 264.25999999999993 > 237.53230000000013 > 9 > 0 > 3.16e-02 g/l > (3S,6S,12R,26S)-5,14,17,23-tetrahydroxy-12-(2-hydroxyethyl)-15,18,21-tris[(4-hydroxyphenyl)methyl]-3-isopropyl-26-methyl-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0^{6,10}]heptacosa-4,13,16,19,22-pentaene-2,11-dione > 0 > NP0154763 > (3s,6s,12r,26s)-5,14,17,23-tetrahydroxy-12-(2-hydroxyethyl)-15,18,21-tris[(4-hydroxyphenyl)methyl]-3-isopropyl-26-methyl-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0⁶,¹⁰]heptacosa-4,13,16,19,22-pentaene-2,11-dione $$$$