Marvin 08011316042D 92100 0 0 0 0 999 V2000 24.3359 -13.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0524 -12.7556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0622 -11.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7828 -11.5266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7925 -10.7016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4896 -11.9474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.2103 -11.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4799 -12.7724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.7634 -13.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1909 -13.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8726 -15.6137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5902 -15.2116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6022 -14.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3240 -13.9846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.0296 -14.4073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.7514 -14.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0177 -15.2323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.3001 -15.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7275 -15.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3331 -13.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3723 -14.0268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1050 -14.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1424 -15.2313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4489 -15.6738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4863 -16.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7162 -15.2946 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6770 -14.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0209 -15.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9228 -10.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9190 -11.5479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6308 -11.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6249 -12.7911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9093 -13.1967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9033 -14.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1974 -12.7797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2012 -11.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4796 -13.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8301 -6.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1184 -6.9977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1184 -7.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4025 -8.2352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4025 -9.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6908 -7.8227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9749 -8.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6908 -6.9977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4025 -6.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9749 -6.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2090 -9.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2244 -8.2652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5185 -7.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5360 -7.0122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2573 -6.6167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2748 -5.7907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9632 -7.0437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9478 -7.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6866 -6.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9236 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9224 -10.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6372 -10.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6354 -9.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3508 -9.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3516 -10.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0669 -10.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0612 -9.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7771 -9.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7789 -10.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4920 -10.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2080 -10.3134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2062 -9.4863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4885 -9.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4927 -11.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9202 -9.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6352 -9.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9193 -8.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2044 -7.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6361 -10.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3492 -9.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0641 -9.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3482 -8.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0650 -10.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0706 -11.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6391 -11.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2076 -10.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4935 -10.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7787 -10.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2070 -11.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7781 -9.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7912 -16.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8284 -17.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0588 -16.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2000 -11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2000 -8.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 45 47 1 1 0 0 0 39 46 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 6 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 11 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 0 0 0 0 49 48 1 1 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 38 1 1 0 0 0 51 52 1 0 0 0 0 52 53 1 6 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 1 0 0 0 49 55 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 1 0 0 0 57 58 2 0 0 0 0 21 27 1 0 0 0 0 58 59 1 0 0 0 0 59 62 2 0 0 0 0 6 8 1 0 0 0 0 61 60 2 0 0 0 0 60 57 1 0 0 0 0 8 9 1 0 0 0 0 12 11 1 1 0 0 0 61 62 1 0 0 0 0 12 13 1 0 0 0 0 62 63 1 0 0 0 0 63 66 2 0 0 0 0 13 14 1 0 0 0 0 65 64 2 0 0 0 0 64 61 1 0 0 0 0 65 66 1 0 0 0 0 14 1 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 65 70 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 31 32 1 0 0 0 0 67 71 2 0 0 0 0 32 20 1 1 0 0 0 69 72 1 0 0 0 0 32 33 1 0 0 0 0 72 73 1 0 0 0 0 33 34 1 6 0 0 0 72 74 1 0 0 0 0 33 35 1 0 0 0 0 74 75 1 0 0 0 0 35 36 1 0 0 0 0 73 76 2 0 0 0 0 35 37 1 1 0 0 0 73 77 1 0 0 0 0 30 36 1 0 0 0 0 77 78 1 0 0 0 0 17 18 1 0 0 0 0 77 79 1 0 0 0 0 17 19 1 1 0 0 0 78 80 1 0 0 0 0 12 18 1 0 0 0 0 63 81 1 0 0 0 0 8 10 1 1 0 0 0 59 82 1 0 0 0 0 2 9 1 0 0 0 0 58 83 1 0 0 0 0 83 84 1 0 0 0 0 2 1 1 1 0 0 0 84 85 1 0 0 0 0 2 3 1 0 0 0 0 83 86 1 0 0 0 0 57 48 1 0 0 0 0 3 4 1 0 0 0 0 68 29 1 0 0 0 0 4 5 1 1 0 0 0 78 87 1 0 0 0 0 39 38 1 1 0 0 0 25 88 1 0 0 0 0 39 40 1 0 0 0 0 88 89 2 0 0 0 0 40 41 1 0 0 0 0 88 90 1 0 0 0 0 41 42 1 1 0 0 0 41 43 1 0 0 0 0 43 44 1 6 0 0 0 43 45 1 0 0 0 0 68 91 1 6 0 0 0 45 46 1 0 0 0 0 69 92 1 1 0 0 0 M END > CHEBI:65814 > durhamycin A > An aureolic acid that consists of tetrasaccharide and disaccharide moieties attached to the tricyclic aglycone. Isolated from Actinoplanes durhamensis, it exhibits anti-HIV activity. > 3 > 1-C-[(2R*,3R*)-6-(butan-2-yl)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1->3)-4-O-acetyl-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-5-deoxy-1-O-methylpent-2-ulose > C62H92O28 > 1285.37710 > 1284.57751 > 0 > [H][C@@]1(Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C(C)CC)c(O)c3c(O)c2C(=O)[C@]1([H])O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)[C@@H](OC(C)=O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(OC)C(=O)C(O)C(C)O > InChI=1S/C62H92O28/c1-12-22(2)47-36(85-43-18-37(53(70)26(6)80-43)86-41-16-34(65)51(68)24(4)78-41)15-32-13-31-14-33(61(77-11)59(76)50(67)23(3)63)62(58(75)49(31)57(74)48(32)56(47)73)90-46-20-39(55(72)28(8)82-46)88-45-21-40(60(29(9)83-45)84-30(10)64)89-44-19-38(54(71)27(7)81-44)87-42-17-35(66)52(69)25(5)79-42/h13,15,22-29,33-35,37-46,50-55,60-63,65-74H,12,14,16-21H2,1-11H3/t22?,23?,24-,25-,26-,27-,28-,29-,33-,34-,35-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,50?,51-,52-,53-,54-,55-,60+,61?,62-/m1/s1 > GKQPKEYSNFSHDQ-JVYPXMHJSA-N > 9250588 > 12193009; 12762675 $$$$