Name: Apigenin 5-O-neohesperidoside
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212525444
Cas No:850630-40-9
常用名:Apigenin 5-O-neohesperidoside
IUPAC:5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
IUPAC:5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
InChI key:LYKXPTCUGPKDQL-PYXJVEIZSA-N

分子式:C27H30O14
分子量:578.523
氢键供体数 (HBD):8
氢键受体数 (HBA):14
LogP:-0.935
SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)cc4oc(cc(=O)c34)-c3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)cc4oc(cc(=O)c34)-c3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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