Name: Scrophularoside A5
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213887609
Cas No:240820-17-1
常用名:Scrophularoside A5
IUPAC:(2S,3R,4R,5S,6S)-3-(acetyloxy)-5-hydroxy-2-{[(2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2E)-3-(4-methoxyphenyl)prop-2-enoate
IUPAC:(2S,3R,4R,5S,6S)-3-(acetyloxy)-5-hydroxy-2-{[(2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2E)-3-(4-methoxyphenyl)prop-2-enoate
InChI key:ZRTBPOAMWLLGTO-WZJSUDCOSA-N

分子式:C33H42O17
分子量:710.682
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(\C=C\C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)C4[C@H]3C=CO[C@H]4O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2OC(C)=O)cc1 |c:29|
SMILES:COc1ccc(\C=C\C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)C4[C@H]3C=CO[C@H]4O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2OC(C)=O)cc1 |c:29|

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