Name: Dehydroborapetoside B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213886975
Cas No:1221178-16-0
常用名:Dehydroborapetoside B
IUPAC:methyl (2S,6S,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate
IUPAC:methyl (2S,6S,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate
InChI key:CGKGCFDWGXCUDW-CGNVXPGMSA-N

分子式:C27H34O12
分子量:550.557
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)C1=C[C@H](O)C[C@H]2[C@]3(C)C[C@H](OC(=O)C3=C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]12C)c1ccoc1 |c:18,t:4|
SMILES:COC(=O)C1=C[C@H](O)C[C@H]2[C@]3(C)C[C@H](OC(=O)C3=C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]12C)c1ccoc1 |c:18,t:4|

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