Name: Concanamycin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212732395
Cas No:80890-47-7
常用名:Concanamycin A
IUPAC:(2R,3S,4R,6R)-6-{[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(1E)-prop-1-en-1-yl]oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl carbamate
IUPAC:(2R,3S,4R,6R)-6-{[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(1E)-prop-1-en-1-yl]oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl carbamate
InChI key:DJZCTUVALDDONK-HQMSUKCRSA-N

分子式:C46H75NO14
分子量:866.099
氢键供体数 (HBD):6
氢键受体数 (HBA):12
LogP:5.5929136
SMILES:CC[C@H]1[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@H](OC)[C@H](OC(=O)\C(OC)=C\C(\C)=C\[C@@H](C)[C@H]1O)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C |t:9,11,22,25|
SMILES:CC[C@H]1[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@H](OC)[C@H](OC(=O)\C(OC)=C\C(\C)=C\[C@@H](C)[C@H]1O)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C |t:9,11,22,25|

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