Name: Frondoside A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315071
Cas No:127367-76-4
常用名:Frondoside A
IUPAC:(6-{[4-(acetyloxy)-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-8-oxo-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-1(20)-en-16-yl]oxy}-5-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-4-hydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxyoxan-3-yl)oxidanesulfonic acid sodium
IUPAC:(6-{[4-(acetyloxy)-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-8-oxo-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-1(20)-en-16-yl]oxy}-5-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-4-hydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxyoxan-3-yl)oxidanesulfonic acid sodium
InChI key:QLEUZVUGGROSQJ-UHFFFAOYSA-N

分子式:C60H96NaO29S
分子量:1336.45
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)C(COC4OC4CCC5(C)C6CCC78C(C(CC7(C)C6=CCC5C4(C)C)OC(C)=O)C(C)(CCCC(C)C)OC8=O)OS(O)(=O)=O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O |c:49|jcExt:v:0:0
SMILES:[Na].COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)C(COC4OC4CCC5(C)C6CCC78C(C(CC7(C)C6=CCC5C4(C)C)OC(C)=O)C(C)(CCCC(C)C)OC8=O)OS(O)(=O)=O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O |c:49|jcExt:v:0:0

possesses anticancer, anti-invasive, anti-metastasis, anti-angiogenic and pro-apoptosis properties with high safety.Frondoside A, a natural glycoside extracted from the sea cucumber, Cucumaria frondosa,

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