Name: Kerriamycin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219599849
Cas No:98474-20-5
常用名:Kerriamycin A
IUPAC:(3R,4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,5R,6R)-5-hydroxy-6-methyl-4-oxooxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-12b-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-methyl-1,2,3,4,4a,7,12,12b-octahydrotetraphene-1,7,12-trione
IUPAC:(3R,4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,5R,6R)-5-hydroxy-6-methyl-4-oxooxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-12b-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-methyl-1,2,3,4,4a,7,12,12b-octahydrotetraphene-1,7,12-trione
InChI key:XRDAMDDZBYHZDC-OVVPFSOKSA-N

分子式:C43H54O17
分子量:842.888
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1O[C@H](CC[C@@H]1O)O[C@]12C(=O)C[C@](C)(O)C[C@@]1(O)C=CC1=C2C(=O)c2ccc([C@H]3C[C@@H](O[C@H]4CC[C@H](O[C@H]5CC(=O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O3)c(O)c2C1=O
SMILES:C[C@@H]1O[C@H](CC[C@@H]1O)O[C@]12C(=O)C[C@](C)(O)C[C@@]1(O)C=CC1=C2C(=O)c2ccc([C@H]3C[C@@H](O[C@H]4CC[C@H](O[C@H]5CC(=O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O3)c(O)c2C1=O

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