Name: Pervicoside B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320493
Cas No:96157-95-8
常用名:Pervicoside B
别名:Neothyoside C
IUPAC:[(3R,4R,5R,6S)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-{[(1S,2S,5S,6S,9S,10S,13S,16S,18R)-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-3-en-1-yl)-8-oxo-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-11-en-16-yl]oxy}oxan-3-yl]oxidanesulfonic acid sodium
IUPAC:[(3R,4R,5R,6S)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-{[(1S,2S,5S,6S,9S,10S,13S,16S,18R)-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-3-en-1-yl)-8-oxo-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-11-en-16-yl]oxy}oxan-3-yl]oxidanesulfonic acid sodium
InChI key:HNQGGWHKNJPYAS-NCWITNHRSA-N

分子式:C54H86NaO25S
分子量:1190.31
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].[H][C@]12CC[C@@]3(C)[C@]4([H])CC[C@@]5([H])C(C)(C)[C@H](CC[C@]5(C)C4=C[C@H](O)[C@]13C(=O)O[C@@]2(C)CCC=C(C)C)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]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O
SMILES:[Na].[H][C@]12CC[C@@]3(C)[C@]4([H])CC[C@@]5([H])C(C)(C)[C@H](CC[C@]5(C)C4=C[C@H](O)[C@]13C(=O)O[C@@]2(C)CCC=C(C)C)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]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O

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