Name: Daunosamnyl-daunorubicin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212710793
Cas No:28008-54-0
常用名:Daunosamnyl-daunorubicin
IUPAC:(8S,10S)-8-acetyl-10-{[(2R,4S,5S,6S)-4-amino-5-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
IUPAC:(8S,10S)-8-acetyl-10-{[(2R,4S,5S,6S)-4-amino-5-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
InChI key:HCMSUFXIFYKIOL-RPYJURNCSA-N

分子式:C33H40N2O12
分子量:656.685
氢键供体数 (HBD):6
氢键受体数 (HBA):14
LogP:1.1638274
SMILES:COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@H]6C[C@H](N)[C@H](O)[C@H](C)O6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
SMILES:COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@H]6C[C@H](N)[C@H](O)[C@H](C)O6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O

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