Name: Ormocarpin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213887872
Cas No:129502-54-1
常用名:Ormocarpin
IUPAC:(2S)-5-hydroxy-3-[(2S,3R)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC:(2S)-5-hydroxy-3-[(2S,3R)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
InChI key:RVPPNKOUWPOQRX-USWCPOBGSA-N

分子式:C42H42O20
分子量:866.778
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:0.867
SMILES:OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C([C@H](Oc3c2)c2ccc(O)cc2)[C@@H]2[C@H](Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3C2=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
SMILES:OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C([C@H](Oc3c2)c2ccc(O)cc2)[C@@H]2[C@H](Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3C2=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

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