Mrv1652309102206372D 63 68 0 0 1 0 999 V2000 1.4513 0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2527 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8229 0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4841 1.9293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2855 2.1249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6819 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2535 0.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5067 1.3829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0449 0.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8059 1.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 2.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9351 2.0879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7270 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 1.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3233 2.4267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1460 2.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4588 3.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6682 3.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1277 3.2282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8512 3.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6541 3.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8697 4.4494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5932 4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 4.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0218 4.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7269 4.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7084 3.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4134 3.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9848 3.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2798 3.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1646 4.8778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3960 5.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 5.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8258 6.2660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0571 7.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 7.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8586 7.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0243 6.0704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 6.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0563 7.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8031 6.8124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4068 7.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8352 8.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4388 8.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8672 9.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 9.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1204 10.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0884 8.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 8.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3747 6.1073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 6.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3872 7.1401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9866 5.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1822 4.9670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4587 4.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7536 4.9990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4402 3.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8149 3.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1335 2.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1976 2.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1452 3.3174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 2.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2121 2.0918 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 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 1 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 22 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 4 0 0 0 32 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 34 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 4 0 0 0 39 41 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 2 0 0 0 0 43 49 1 0 0 0 0 41 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 4 0 0 0 51 53 1 0 0 0 0 54 53 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 0 0 0 0 60 61 1 0 0 0 0 57 61 1 1 0 0 0 61 62 1 0 0 0 0 4 62 1 0 0 0 0 62 63 2 0 0 0 0 M END > NP0295577 > NP-MRD > CC(C)[C@@H]1N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@@H](N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)N=C1O)C(C)C > InChI=1S/C45H60N8O10/c1-25(2)37-42(60)48-32(23-28-13-17-30(55)18-14-28)43(61)53-21-7-10-35(53)44(62)51-19-6-9-34(51)41(59)50-38(26(3)4)45(63)52-20-5-8-33(52)40(58)46-24-36(56)47-31(39(57)49-37)22-27-11-15-29(54)16-12-27/h11-18,25-26,31-35,37-38,54-55H,5-10,19-24H2,1-4H3,(H,46,58)(H,47,56)(H,48,60)(H,49,57)(H,50,59)/t31-,32-,33-,34-,35-,37-,38-/m0/s1 > BAQMGOUWOXKILR-NNXYFESASA-N > C45H60N8O10 > 873.021 > 872.443240164 > 15 > 123 > 91.51299049914873 > 0 > 7 > 0 > 0 > (1S,7S,10S,16S,22S,25S,28S)-8,17,20,23,26-pentahydroxy-22,28-bis[(4-hydroxyphenyl)methyl]-10,25-bis(propan-2-yl)-3,9,12,18,21,24,27,30-octaazatetracyclo[28.3.0.0^{3,7}.0^{12,16}]tritriaconta-8,17,20,23,26-pentaene-2,11,29-trione > 4.246788267728593 > 1 > 6 > 0 > 3.7496278033660495 > 3.2076517374610813 > 1.8142045086542673 > 264.34 > 230.75210000000004 > 6 > 0 > (1S,7S,10S,16S,22S,25S,28S)-8,17,20,23,26-pentahydroxy-22,28-bis[(4-hydroxyphenyl)methyl]-10,25-diisopropyl-3,9,12,18,21,24,27,30-octaazatetracyclo[28.3.0.0^{3,7}.0^{12,16}]tritriaconta-8,17,20,23,26-pentaene-2,11,29-trione > 0 > NP0295577 > (1s,7s,10s,16s,22s,25s,28s)-8,17,20,23,26-pentahydroxy-22,28-bis[(4-hydroxyphenyl)methyl]-10,25-diisopropyl-3,9,12,18,21,24,27,30-octaazatetracyclo[28.3.0.0³,⁷.0¹²,¹⁶]tritriaconta-8,17,20,23,26-pentaene-2,11,29-trione $$$$