Name: Withanoside V
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316267
Cas No:256520-90-8
常用名:Withanoside V
IUPAC:(6R)-6-[(1S)-1-[(1R,3aS,3bS,7R,9S,9aR,9bS,11aS)-9-hydroxy-9a,11a-dimethyl-7-{[(2R,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}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
IUPAC:(6R)-6-[(1S)-1-[(1R,3aS,3bS,7R,9S,9aR,9bS,11aS)-9-hydroxy-9a,11a-dimethyl-7-{[(2R,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}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
InChI key:ZBLWKSUMHLVXAM-KFJRISAASA-N

分子式:C40H62O14
分子量:766.922
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](C[C@H](O)[C@]4(C)[C@@]3([H])CC[C@]12C)O[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)[C@H](C)[C@@]1([H])CC(C)=C(C)C(=O)O1 |t:9,59|
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](C[C@H](O)[C@]4(C)[C@@]3([H])CC[C@]12C)O[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)[C@H](C)[C@@]1([H])CC(C)=C(C)C(=O)O1 |t:9,59|

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