Name: Adynerigenin beta-neritrioside
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT213886099
Cas No:88721-09-9
常用名:Adynerigenin beta-neritrioside
IUPAC:4-[(1S,3R,6R,7R,10R,11S,14S,16R)-14-{[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7,11-dimethyl-2-oxapentacyclo[8.8.0.0^{1,3}.0^{3,7}.0^{11,16}]octadecan-6-yl]-2,5-dihydrofuran-2-one
IUPAC:4-[(1S,3R,6R,7R,10R,11S,14S,16R)-14-{[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7,11-dimethyl-2-oxapentacyclo[8.8.0.0^{1,3}.0^{3,7}.0^{11,16}]octadecan-6-yl]-2,5-dihydrofuran-2-one
InChI key:FHDXJOXIIORNFS-HRQGBTQPSA-N

分子式:C42H64O17
分子量:840.957
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]44CC[C@H](C6=CC(=O)OC6)[C@@]4(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |t:21|
SMILES:CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]44CC[C@H](C6=CC(=O)OC6)[C@@]4(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |t:21|

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