Name: Picfeltarraenin IV
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314583
Cas No:184288-35-5
常用名:Picfeltarraenin IV
别名:苦玄参苷 IV
IUPAC:(2R)-2-[(1R,2R,3aS,3bS,7R,9aR,9bR,11aR)-7-{[(2S,3R,4S,5R)-4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-2-hydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methyl-5-(propan-2-yl)-2,3-dihydrofuran-3-one
IUPAC:(2R)-2-[(1R,2R,3aS,3bS,7R,9aR,9bR,11aR)-7-{[(2S,3R,4S,5R)-4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-2-hydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methyl-5-(propan-2-yl)-2,3-dihydrofuran-3-one
InChI key:AJDSYFQMQGZVPS-IKSBIVJHSA-N

分子式:C47H72O18
分子量:925.075
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)[C@@]1(C)OC(=CC1=O)C(C)C |c:10,68|
SMILES:[H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)[C@@]1(C)OC(=CC1=O)C(C)C |c:10,68|

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