异黄芪皂苷I

pro_cas
84676-88-0
pro_cdbregno
CCD03476979
pro_formula
C45 H72 O16
pro_molWeight
869.048

basic_info

Product_Name: 异黄芪皂苷I
CAS: 84676-88-0
中文同义词: 异黄芪皂苷I
EnglishSynonyms: ISOASTRAGALOSIDE I
pro_mdlNumber: MFCD17214429
pro_acceptors: 16
pro_donors: 7
pro_smile: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1O)OC(=O)C)O[C@H]2CC[C@]34C[C@]35CC[C@@]6([C@H]([C@H](C[C@]6([C@@H]5C[C@@H]([C@H]4C2(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)[C@]8(CC[C@H](O8)C(C)(C)O)C)C
InChi: InChI=1S/C45H72O16/c1-21(47)56-26-19-55-38(34(31(26)51)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-24(36(45)39(28,3)4)58-37-33(53)32(52)30(50)25(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24-,25+,26+,27-,28-,29-,30+,31-,32-,33+,34+,35-,36-,37+,38-,41+,42-,43+,44-,45+/m0/s1
InChiKey: InChIKey=HVPKALQHGQMJER-XOUPSZAESA-N

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