Name: Sodium Aescinate
Rating: 5 (10 reviews)

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HIT ID:HIT212664427
Cas No:20977-05-3
常用名:Sodium Aescinate
别名:七叶皂苷钠, Escin sodium salt
IUPAC:sodium 6-{[22-({[3-(acetyloxy)-2-methylbutanoyl]oxy}methyl)-21-hydroxy-8-(hydroxymethyl)-3,4,8,12,19,19-hexamethyl-23-oxahexacyclo[18.2.1.0^{3,16}.0^{4,13}.0^{7,12}.0^{17,22}]tricos-15-en-9-yl]oxy}-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylate
IUPAC:sodium 6-{[22-({[3-(acetyloxy)-2-methylbutanoyl]oxy}methyl)-21-hydroxy-8-(hydroxymethyl)-3,4,8,12,19,19-hexamethyl-23-oxahexacyclo[18.2.1.0^{3,16}.0^{4,13}.0^{7,12}.0^{17,22}]tricos-15-en-9-yl]oxy}-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylate
InChI key:OJTQULAMLNBGOY-UHFFFAOYSA-M

分子式:C54H83NaO23
分子量:1123.225
氢键供体数 (HBD):10
氢键受体数 (HBA):21
LogP:-0.47763684
SMILES:[Na+].CC(OC(C)=O)C(C)C(=O)OCC12C3CC4(C)C(=CCC5C6(C)CCC(OC7OC(C(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OCC(O)C(O)C7O)C([O-])=O)C(C)(CO)C6CCC45C)C1CC(C)(C)C(O3)C2O |c:17,THB:77:76:75.14:69.70.71|
SMILES:[Na+].CC(OC(C)=O)C(C)C(=O)OCC12C3CC4(C)C(=CCC5C6(C)CCC(OC7OC(C(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OCC(O)C(O)C7O)C([O-])=O)C(C)(CO)C6CCC45C)C1CC(C)(C)C(O3)C2O |c:17,THB:77:76:75.14:69.70.71|

Sodium Aescinate (Escin sodium salt) 是一种三萜皂苷，来源于Aesculus hippocastanum 的种子，具有抗炎、抗氧化作用。它可以通过靶向 CARMA3/NF-κB 途径，抑制抑制肝癌生长。

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