basic_info |
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Product_Name: | 1,3,6-TRI-O-GALLOYL-B-D-GLUCOSE |
CAS: | 18483-17-5 |
EnglishSynonyms: | GALLOYL-B-D-GLUCOSE, 1,3,6-TRI-O- ; 1,3,6-TRIGALLOYL-BETA-D-GLUCOSE ; 1,3,6-TRI-O-GALLOYL GLUCOSE ; B-D-GLUCOPYRANOSE, 1,3,6-TRIS(3,4,5-TRIHYDROXYBENZOATE) ; 1,3,6-TRI-O-GALLOYL-B-D-GLUCOSE ; 1,3,6-TRI-O-GALLOYL-BETA-D-GLUCOSE |
pro_mdlNumber: | MFCD06656305 |
pro_acceptors: | 18 |
pro_donors: | 11 |
pro_smile: | c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O |
InChi: | InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1 |
InChiKey: | InChIKey=RNKMOGIPOMVCHO-SJMVAQJGSA-N |
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