Name: Periandrin V
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212524262
Cas No:152464-84-1
常用名:Periandrin V
IUPAC:(2S,3S,4S,5R,6R)-6-{[(3S,6aR,6bR,8aS,11S,12bS,14bS)-11-carboxy-14b-formyl-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
IUPAC:(2S,3S,4S,5R,6R)-6-{[(3S,6aR,6bR,8aS,11S,12bS,14bS)-11-carboxy-14b-formyl-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
InChI key:OHGFKHHCPIGSKE-NMYCNOSCSA-N

分子式:C41H62O14
分子量:778.933
氢键供体数 (HBD):7
氢键受体数 (HBA):14
LogP:3.037
SMILES:[H][C@]12CCC3[C@@](C)(CCC4C(C)(C)[C@H](CC[C@]34C=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@]1(C)CC[C@@]1(C)CC[C@@](C)(C=C21)C(O)=O |t:56|
SMILES:[H][C@]12CCC3[C@@](C)(CCC4C(C)(C)[C@H](CC[C@]34C=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@]1(C)CC[C@@]1(C)CC[C@@](C)(C=C21)C(O)=O |t:56|

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