Basic Information |
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Product Name: | IBSCREEN-BB BB_NC-1267 |
English Synonyms: | IBSCREEN-BB BB_NC-1267 |
MDL Number.: | MFCD00058234 |
H bond acceptor: | 19 |
H bond donor: | 15 |
Smile: | C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O)O)NC(=N)N)O)NC(=N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O.OS(=O)(=O)O |
InChi: | InChI=1S/C21H41N7O12.H2O4S/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;1-5(2,3)4/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);(H2,1,2,3,4)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+;/m0./s1 |
InChiKey: | InChIKey=GSPKOIJAMLDYCY-QXQFOYBSSA-N |
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