basic_info |
|
| Product_Name: | N-[4-(B-D-GALACTOPYRANOSYL)-3-NITROBENZYLOXYCARBONYL]DAUNOMYCIN |
| EnglishSynonyms: | N-[4-(B-D-GALACTOPYRANOSYL)-3-NITROBENZYLOXYCARBONYL]DAUNOMYCIN |
| pro_mdlNumber: | MFCD21609251 |
| pro_acceptors: | 23 |
| pro_donors: | 10 |
| pro_smile: | CC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)O)O)NC(=O)OCc6ccc(c(c6)[N+](=O)[O-])O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O |
| InChi: | InChI=1S/C40H42N2O21/c1-14(44)40(55)10-17-26(34(50)28-27(30(17)46)29(45)16-4-3-5-21(58-2)25(16)33(28)49)22(11-40)60-24-9-18(31(47)37(53)63-24)41-39(54)59-13-15-6-7-20(19(8-15)42(56)57)61-38-36(52)35(51)32(48)23(12-43)62-38/h3-8,18,22-24,31-32,35-38,43,46-48,50-53,55H,9-13H2,1-2H3,(H,41,54)/t18-,22-,23+,24+,31-,32-,35-,36+,37+,38+,40-/m0/s1 |
| InChiKey: | InChIKey=IVCJOZRQHIGLTF-IEROFNLZSA-N |
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