Name: 1-Hydroxysulfurmycin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619044
Cas No:79217-18-8
常用名:1-Hydroxysulfurmycin B
IUPAC:methyl 4-{[5-({5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0^{3,8}]tetradecan-12-yl}oxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7,10-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
IUPAC:methyl 4-{[5-({5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0^{3,8}]tetradecan-12-yl}oxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7,10-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
InChI key:InChIKey=NKBLQTJXEMEUHV-UHFFFAOYSA-N

分子式:C43H51NO17
分子量:853.871
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)C1c2cc3C(=O)c4c(O)ccc(O)c4C(=O)c3c(O)c2C(CC1(O)CC(C)=O)OC1CC(C(OC2CC3OC4CC(=O)C(C)OC4OC3C(C)O2)C(C)O1)N(C)C
SMILES:COC(=O)C1c2cc3C(=O)c4c(O)ccc(O)c4C(=O)c3c(O)c2C(CC1(O)CC(C)=O)OC1CC(C(OC2CC3OC4CC(=O)C(C)OC4OC3C(C)O2)C(C)O1)N(C)C

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