Name: Badione A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600607
Cas No:90295-66-2
常用名:Badione A
IUPAC:2-[(2E)-4-{7-[(5E)-5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-12-hydroxy-3,4-dioxo-2-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5(13),6,8,10-pentaen-10-yl}-3-hydroxy-5-oxo-2,5-dihydrofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid
IUPAC:2-[(2E)-4-{7-[(5E)-5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-12-hydroxy-3,4-dioxo-2-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5(13),6,8,10-pentaen-10-yl}-3-hydroxy-5-oxo-2,5-dihydrofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid
InChI key:DRKMVSXBACRYHE-WECXDZCISA-N

分子式:C36H18O16
分子量:706.524
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(=C1\OC(=O)C(=C1O)c1cc2C(=O)C(=O)Oc3c(O)cc(C4=C(O)\C(OC4=O)=C(/C(O)=O)c4ccc(O)cc4)c(c1)c23)\c1ccc(O)cc1
SMILES:OC(=O)C(=C1\OC(=O)C(=C1O)c1cc2C(=O)C(=O)Oc3c(O)cc(C4=C(O)\C(OC4=O)=C(/C(O)=O)c4ccc(O)cc4)c(c1)c23)\c1ccc(O)cc1

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