basic_info |
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Product_Name: | 沙苑子苷 |
CAS: | 146501-37-3 ;116183-66-5 |
中文同义词: | 沙苑子苷 ; 沙苑子苷A |
EnglishSynonyms: | COMPLANATUSIDE ; 2-[4-(BETA-D-GLUCOPYRANOSYLOXY)PHENYL]-5-HYDROXY-7-METHOXY-4-OXO-4H-CHROMEN-3-YL BETA-D-ALLOPYRANOSIDE ; COMPLANATOSIDE A |
pro_mdlNumber: | MFCD20527287 |
pro_acceptors: | 16 |
pro_donors: | 9 |
pro_smile: | COc1cc(c2c(c1)oc(c(c2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O |
InChi: | InChI=1S/C28H32O16/c1-39-12-6-13(31)17-14(7-12)41-25(26(20(17)34)44-28-24(38)22(36)19(33)16(9-30)43-28)10-2-4-11(5-3-10)40-27-23(37)21(35)18(32)15(8-29)42-27/h2-7,15-16,18-19,21-24,27-33,35-38H,8-9H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28+/m1/s1 |
InChiKey: | InChIKey=KKPKUPKKMALLKG-QDYVESOYSA-N |
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