Name: Quinocycline B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619031
Cas No:37231-76-8
常用名:Quinocycline B
IUPAC:(1S,16R,17R,19S)-16-{[(2S,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-3,10-dihydroxy-17-methyl-4',5'-dihydro-1'H-18-oxaspiro[pentacyclo[15.2.1.0^{2,15}.0^{4,13}.0^{6,11}]icosane-19,2'-pyrrolo[2,3-b]pyrrole]-2(15),3,6(11),7,9,13-hexaene-5,12-dione
IUPAC:(1S,16R,17R,19S)-16-{[(2S,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-3,10-dihydroxy-17-methyl-4',5'-dihydro-1'H-18-oxaspiro[pentacyclo[15.2.1.0^{2,15}.0^{4,13}.0^{6,11}]icosane-19,2'-pyrrolo[2,3-b]pyrrole]-2(15),3,6(11),7,9,13-hexaene-5,12-dione
InChI key:InChIKey=IWQFYWITNQDEGF-ISOVBQQUSA-N

分子式:C33H32N2O10
分子量:616.623
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@](C)(O[C@]11NC3=NCCC3=C1)[C@H](O[C@H]1C[C@@H](O)[C@](O)([C@H](C)O1)C(C)=O)c1cc3C(=O)c4c(O)cccc4C(=O)c3c(O)c21
SMILES:[H][C@@]12C[C@@](C)(O[C@]11NC3=NCCC3=C1)[C@H](O[C@H]1C[C@@H](O)[C@](O)([C@H](C)O1)C(C)=O)c1cc3C(=O)c4c(O)cccc4C(=O)c3c(O)c21

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