Name: Echinoside B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317998
Cas No:75410-52-5
常用名:Echinoside B
IUPAC:[(3R,4R,5R,6S)-6-{[(1S,2S,5R,6S,9S,10S,13S,16S,18R)-5,10-dihydroxy-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-11-en-16-yl]oxy}-4-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxidanesulfonic acid sodium
IUPAC:[(3R,4R,5R,6S)-6-{[(1S,2S,5R,6S,9S,10S,13S,16S,18R)-5,10-dihydroxy-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-11-en-16-yl]oxy}-4-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxidanesulfonic acid sodium
InChI key:JCQMTGLKXPZYQW-RWRWIFJRSA-N

分子式:C41H66NaO16S
分子量:870.01
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].[H][C@@]12CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)C1=C[C@H](O)[C@]13C(=O)O[C@@](C)(CCCC(C)C)[C@@]1(O)CC[C@@]23C)O[C@@H]1OC[C@@H](OS(O)(=O)=O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O |c:16|jcExt:v:0:0
SMILES:[Na].[H][C@@]12CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)C1=C[C@H](O)[C@]13C(=O)O[C@@](C)(CCCC(C)C)[C@@]1(O)CC[C@@]23C)O[C@@H]1OC[C@@H](OS(O)(=O)=O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O |c:16|jcExt:v:0:0

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