Name: Momordicoside X
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316008
Cas No:1333321-50-8
常用名:Momordicoside X
IUPAC:(1R,3aS,3bS,4S,7S,9aR,9bR,11aR)-4,7-dihydroxy-3a,6,6,11a-tetramethyl-1-[(2R,4E)-6-methyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-4-en-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9b-carbaldehyde
IUPAC:(1R,3aS,3bS,4S,7S,9aR,9bR,11aR)-4,7-dihydroxy-3a,6,6,11a-tetramethyl-1-[(2R,4E)-6-methyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-4-en-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9b-carbaldehyde
InChI key:HCVJCHFPBZXLGC-PMDMCWLNSA-N

分子式:C36H58O9
分子量:634.851
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2(C)[C@]3([H])[C@@H](O)C=C4[C@@]([H])(CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O)[C@H](C)C\C=C\C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |c:10|
SMILES:[H][C@@]1(CC[C@@]2(C)[C@]3([H])[C@@H](O)C=C4[C@@]([H])(CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O)[C@H](C)C\C=C\C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |c:10|

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