Auramycin A
HIT219251551
sdf文件结构编辑类似物检索
HIT ID: HIT219251551
Cas No: 78173-92-9
分子式: C41H51NO15
分子量: 797.851
常用名: Auramycin A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-{[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-{[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-2-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
IUPAC: methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-{[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-{[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-2-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
SMILES: COC(=O)[C@@H]1c2cc3C(=O)c4cccc(O)c4C(=O)c3c(O)c2[C@H](C[C@@]1(C)O)O[C@H]1C[C@@H]([C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3CCC(=O)[C@H](C)O3)[C@H](C)O2)[C@H](C)O1)N(C)C
SMILES: COC(=O)[C@@H]1c2cc3C(=O)c4cccc(O)c4C(=O)c3c(O)c2[C@H](C[C@@]1(C)O)O[C@H]1C[C@@H]([C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3CCC(=O)[C@H](C)O3)[C@H](C)O2)[C@H](C)O1)N(C)C
InChI key: UFVSOHSXEJJBKL-UFJKXKKKSA-N
共显示1个结果
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