Basic Information |
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Product Name: | RHEIN-8-O-BETA-D-GLUCOPYRANOSIDE |
CAS: | 113443-70-2 |
English Synonyms: | NO NAME SUPPLIED ; RHEIN-8-O-BETA-D-GLUCOPYRANOSIDE |
MDL Number.: | MFCD01744469 |
H bond acceptor: | 22 |
H bond donor: | 10 |
Smile: | c1cc2c(c(c1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)c4c(cc(cc4O)C(=O)O[Ca]OC(=O)c5cc6c(c(c5)O)C(=O)c7c(cccc7O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C6=O)C2=O |
InChi: | InChI=1S/2C21H18O11.Ca/c2*22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23;/h2*1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30);/q;;+2/p-2/t2*12-,16-,18+,19-,21-;/m11./s1 |
InChiKey: | InChIKey=AZVJESIQTIROTM-JKCHPDJSSA-L |
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