Name: Momordicoside K
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665705
Cas No:81348-84-7
常用名:Momordicoside K
别名:苦瓜皂苷 K
IUPAC:(1R,3aS,3bS,4S,7S,9aR,9bR,11aR)-7-hydroxy-1-[(2R,4E)-6-methoxy-6-methylhept-4-en-2-yl]-3a,6,6,11a-tetramethyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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)-7-hydroxy-1-[(2R,4E)-6-methoxy-6-methylhept-4-en-2-yl]-3a,6,6,11a-tetramethyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9b-carbaldehyde
InChI key:HPSVQEWDZSDXRG-ZMMZJDKESA-N

分子式:C37H60O9
分子量:648.878
氢键供体数 (HBD):5
氢键受体数 (HBA):9
LogP:3.2312908
SMILES:[H][C@@]12CC[C@H](O)C(C)(C)C1=C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])[C@]3(C)CC[C@H]([C@H](C)C\C=C\C(C)(C)OC)[C@@]3(C)CC[C@@]21C=O |c:10|
SMILES:[H][C@@]12CC[C@H](O)C(C)(C)C1=C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])[C@]3(C)CC[C@H]([C@H](C)C\C=C\C(C)(C)OC)[C@@]3(C)CC[C@@]21C=O |c:10|

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