Name: Primulasaponin 1
Rating: 5 (10 reviews)

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HIT ID:HIT212521963
Cas No:65312-86-9
常用名:Primulasaponin 1
IUPAC:(2S,3S,4S,5R,6R)-4-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-{[(1S,2R,4S,5R,10S,13R,17S)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracosan-10-yl]oxy}-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
IUPAC:(2S,3S,4S,5R,6R)-4-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-{[(1S,2R,4S,5R,10S,13R,17S)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracosan-10-yl]oxy}-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
InChI key:DQUUSJCGJNQFPG-IFXUJQPNSA-N

分子式:C54H88O23
分子量:1105.275
氢键供体数 (HBD):13
氢键受体数 (HBA):23
LogP:-0.339
SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@H](O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC[C@]46OC[C@@]7(CCC(C)(C)CC47)[C@H](O)C[C@@]56C)C3(C)C)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O |@:42,52|
SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@H](O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC[C@]46OC[C@@]7(CCC(C)(C)CC47)[C@H](O)C[C@@]56C)C3(C)C)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O |@:42,52|

Primulasaponin 1 (Standard) 是 Primulasaponin 1 的标准品。适用于定量分析、质量控制及生化实验等相关研究。Primulasaponin 1 是一种有用的有机化合物，可用于生命科学领域的相关研究。其产品编号为 T124469，CAS号为 65312-86-9。

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