basic_info |
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Product_Name: | 地肤子皂苷 Ic |
CAS: | 96990-18-0 |
中文同义词: | 地肤子皂苷 Ic |
EnglishSynonyms: | MOMORDIN 1C ; MOMORDIN IC ; (3BETA)-28-HYDROXY-28-OXOOLEAN-12-EN-3-YL 3-O-BETA'-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDURONIC ACID |
pro_mdlNumber: | MFCD11042256 |
pro_acceptors: | 13 |
pro_donors: | 7 |
pro_smile: | CC1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C)C)[C@@H]2C1)C)C(=O)O)C |
InChi: | InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1 |
InChiKey: | InChIKey=HWYBGIDROCYPOE-WEAQAMGWSA-N |
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