Escin, sodium salt
sodium (2S,3S,4S,5R,6R)-6-[[(1R,3S,8S,20S)-22-[(3-acetyloxy-2-methylbutanoyl)oxymethyl]-21-hydroxy-8-(hydroxymethyl)-3,4,8,12,19,19-hexamethyl-23-oxahexacyclo[18.2.1.03,16.04,13.07,12.017,22]tricos-15-en-9-yl]oxy]-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
Molecular Identity
Escin, sodium salt
sodium (2S,3S,4S,5R,6R)-6-[[(1R,3S,8S,20S)-22-[(3-acetyloxy-2-methylbutanoyl)oxymethyl]-21-hydroxy-8-(hydroxymethyl)-3,4,8,12,19,19-hexamethyl-23-oxahexacyclo[18.2.1.03,16.04,13.07,12.017,22]tricos-15-en-9-yl]oxy]-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
PubChem CID: 3084345
2D Structure
Properties
C54H84NaO23+
Molecular Formula
1124.20
Molecular Weight
g/mol
1123.5301
Exact Mass
Da
357
TPSA
May have limited oral absorption
11
H-Bond Donors
23
H-Bond Acceptors
2230
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Escin, sodium saltRefChem:1084262Sodium aescinate20977-05-3Na-AescinatAescin sodium saltAescusan sodium saltEINECS 244-133-4A-4760Sodium escinateEscin monosodium saltSodiumAescinateAescin polysulphate sodium saltSodium-AescinateAescin monosodium salt
Data from PubChem (NCBI)
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