Name: 7-O-(4-beta-D-glucopyranosyloxy-3-methoxybenzoyl)secologanolic acid
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HIT ID:HIT214312565
Cas No:469899-55-6
常用名:7-O-(4-beta-D-glucopyranosyloxy-3-methoxybenzoyl)secologanolic acid
常用名:7-O-(4-beta-D-glucopyranosyloxy-3-methoxybenzoyl)secologanolic acid
IUPAC:(2S,3R,4S)-3-ethenyl-4-[2-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)ethyl]-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid
IUPAC:(2S,3R,4S)-3-ethenyl-4-[2-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)ethyl]-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid
InChI key:VHFHOBRIZGOORR-GSIFQPCXSA-N

分子式:C30H40O18
分子量:688.632
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OCC[C@H]1[C@@H](C=C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(O)=O |c:46|
SMILES:COc1cc(ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OCC[C@H]1[C@@H](C=C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(O)=O |c:46|

7-O-(4-beta-D-glucopyranosyloxy-3-methoxybenzoyl)secologanolic acid 是一种有用的有机化合物，可用于生命科学领域的相关研究，其产品编号为 T124818。

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