Name: alborixin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849521
Cas No:
常用名:alborixin
IUPAC:(2R)-2-[(2S,3S,5R,6S)-6-[(2R,3S)-3-[(2R,5S,6R)-6-{[(2R,3S,5R,6R)-6-[(R)-[(2S,2'R,3'R,5S,5'S)-5'-[(2R,5R,6S)-6-ethyl-5-hydroxy-5-methyloxan-2-yl]-2'-hydroxy-2,3',5'-trimethyl-[2,2'-bioxolan]-5-yl](hydroxy)methyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl}-6-hydroxy-5-methyloxan-2-yl]-2-hydroxybutyl]-3,5-dimethyloxan-2-yl]propanoic acid
IUPAC:(2R)-2-[(2S,3S,5R,6S)-6-[(2R,3S)-3-[(2R,5S,6R)-6-{[(2R,3S,5R,6R)-6-[(R)-[(2S,2'R,3'R,5S,5'S)-5'-[(2R,5R,6S)-6-ethyl-5-hydroxy-5-methyloxan-2-yl]-2'-hydroxy-2,3',5'-trimethyl-[2,2'-bioxolan]-5-yl](hydroxy)methyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl}-6-hydroxy-5-methyloxan-2-yl]-2-hydroxybutyl]-3,5-dimethyloxan-2-yl]propanoic acid
InChI key:WWDHGOLBPBWCNJ-GXXSWWTOSA-N

分子式:C48H84O14
分子量:885.186
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(CC[C@](C)(O1)[C@]1(O)O[C@@](C)(C[C@H]1C)[C@@]1([H])CC[C@@](C)(O)[C@H](CC)O1)[C@@H](O)[C@]1(O)O[C@H](C[C@@]2(O)O[C@]([H])(CC[C@@H]2C)[C@@H](C)[C@H](O)C[C@@H]2O[C@]([H])([C@@H](C)C(O)=O)[C@@H](C)C[C@H]2C)[C@@H](C)C[C@H]1C
SMILES:[H][C@]1(CC[C@](C)(O1)[C@]1(O)O[C@@](C)(C[C@H]1C)[C@@]1([H])CC[C@@](C)(O)[C@H](CC)O1)[C@@H](O)[C@]1(O)O[C@H](C[C@@]2(O)O[C@]([H])(CC[C@@H]2C)[C@@H](C)[C@H](O)C[C@@H]2O[C@]([H])([C@@H](C)C(O)=O)[C@@H](C)C[C@H]2C)[C@@H](C)C[C@H]1C

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