Name: Pueroside B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316141
Cas No:100692-54-4
常用名:Pueroside B
IUPAC:9-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,6-dihydro-2H-1-benzoxocin-2-one
IUPAC:9-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,6-dihydro-2H-1-benzoxocin-2-one
InChI key:WLJQJNMTYWDBCX-UHFFFAOYSA-N

分子式:C30H36O15
分子量:636.603
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc2CC(OC3OC(CO)C(O)C(O)C3O)C(=CC(=O)Oc2c1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1 |w:21.22|
SMILES:COc1ccc2CC(OC3OC(CO)C(O)C(O)C3O)C(=CC(=O)Oc2c1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1 |w:21.22|

Pueroside B may can treat coronary heart disease, it can interact with two or more targets[peroxisome proliferator activated receptor γ (PPAR-γ), angiotensin-converting enzyme (ACE), hydroxymethylglutaryl coenzyme A receptor (HMGR), cyclooxygenase-2 (COX2), and thrombin].

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