Mrv0541 02231219232D 68 72 0 0 1 0 999 V2000 15.8531 -7.3877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8531 -8.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5668 -8.6253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2791 -8.2127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2791 -7.3877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5668 -6.9765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5668 -9.7530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2819 -10.1654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2819 -10.9905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9956 -11.3756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7078 -10.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7078 -10.1654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9956 -9.7543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9941 -8.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9956 -8.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9941 -6.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5668 -6.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1394 -6.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4244 -7.3877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9956 -12.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2805 -13.2457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4230 -9.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1380 -10.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5654 -12.8359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8517 -13.2457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8517 -14.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5654 -14.4847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2805 -14.0721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5654 -12.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5737 -11.4127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9956 -14.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7106 -14.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4256 -14.4847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1393 -14.0721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1393 -13.2485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4256 -12.8373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7106 -13.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4256 -12.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8530 -12.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4256 -15.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8545 -14.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1381 -12.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4230 -13.2430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5654 -15.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8504 -15.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7093 -12.8290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4216 -14.0680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1353 -14.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7066 -14.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7066 -15.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9942 -13.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7107 -12.0040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9970 -11.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4257 -11.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2805 -12.8264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2861 -12.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5737 -11.5846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8559 -12.0013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8559 -12.8264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5737 -13.2444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5752 -10.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1409 -11.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1409 -13.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5765 -14.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1449 -11.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8586 -11.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8586 -10.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4257 -10.7677 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 1 6 1 0 0 0 0 3 7 1 6 0 0 0 8 7 1 1 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 12 13 1 0 0 0 0 8 13 1 0 0 0 0 4 14 1 1 0 0 0 13 15 1 6 0 0 0 5 16 1 6 0 0 0 6 17 1 1 0 0 0 1 18 1 6 0 0 0 18 19 1 0 0 0 0 10 20 1 1 0 0 0 21 20 1 1 0 0 0 12 22 1 1 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 28 1 0 0 0 0 24 29 1 6 0 0 0 9 30 1 6 0 0 0 28 31 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 32 37 1 0 0 0 0 36 38 1 1 0 0 0 35 39 1 1 0 0 0 33 40 1 6 0 0 0 34 41 1 1 0 0 0 25 42 1 1 0 0 0 42 43 1 0 0 0 0 27 44 1 1 0 0 0 44 45 1 0 0 0 0 43 46 1 0 0 0 0 43 47 1 6 0 0 0 47 48 1 6 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 46 51 1 0 0 0 0 46 52 1 6 0 0 0 52 53 1 1 0 0 0 52 54 1 0 0 0 0 55 51 1 1 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 55 60 1 0 0 0 0 57 61 1 6 0 0 0 58 62 1 6 0 0 0 59 63 1 6 0 0 0 60 64 1 1 0 0 0 30 66 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 54 68 2 0 0 0 0 M END > CHEM035343 > chemdb > C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O[C@@H]2C[C@H](CO)[C@H](OC3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C39H67NO28/c1-10-20(49)25(54)28(57)37(60-10)65-31-13(5-41)4-16(62-32(14(47)6-42)33(15(48)7-43)66-38-29(58)26(55)21(50)11(2)61-38)23(52)35(31)68-36-19(40-12(3)46)34(24(53)18(9-45)63-36)67-39-30(59)27(56)22(51)17(8-44)64-39/h7,10-11,13-39,41-42,44-45,47-59H,4-6,8-9H2,1-3H3,(H,40,46)/t10-,11-,13+,14+,15-,16+,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31-,32+,33+,34+,35+,36-,37?,38-,39-/m0/s1 > RNJJNIREQYKQIV-QDGYNRPDSA-N > C39H67NO28 > 997.9392 > 997.384960565 > 28 > 94.57545502926376 > 0 > 18 > 0 > 0 > N-[(2S,3R,4R,5S,6R)-5-hydroxy-2-{[(1R,2S,3R,5R,6S)-2-hydroxy-5-(hydroxymethyl)-6-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3-{[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}cyclohexyl]oxy}-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide > -2.32 > -10.658381254999998 > -0.95 > 1 > 5 > 0 > 11.723715398537461 > 11.38447141150458 > -3.6765056448097324 > 473.1500000000001 > 211.16410000000008 > 19 > 0 > 1.11e+02 g/l > N-[(2S,3R,4R,5S,6R)-5-hydroxy-2-{[(1R,2S,3R,5R,6S)-2-hydroxy-5-(hydroxymethyl)-6-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3-{[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}cyclohexyl]oxy}-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide > 0 > O-beta-D-glucopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->4)]-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-glucose > 185565-23-5 $$$$