Name: Ditrisarubicin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600026
Cas No:87399-21-1
常用名:Ditrisarubicin A
IUPAC:10-{[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}-7-{[4-(dimethylamino)-5-({4-hydroxy-6-methyl-5-[(6-methyl-5-oxooxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-8-ethyl-1,6,8,11-tetrahydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
IUPAC:10-{[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}-7-{[4-(dimethylamino)-5-({4-hydroxy-6-methyl-5-[(6-methyl-5-oxooxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-8-ethyl-1,6,8,11-tetrahydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
InChI key:YSHFQLRUHOZEFD-UHFFFAOYSA-N

分子式:C60H82N2O22
分子量:1183.308
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC1(O)CC(OC2CC(C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2C1OC1CC(C(OC2CC(O)C(OC3CCC(=O)C(C)O3)C(C)O2)C(C)O1)N(C)C
SMILES:CCC1(O)CC(OC2CC(C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2C1OC1CC(C(OC2CC(O)C(OC3CCC(=O)C(C)O3)C(C)O2)C(C)O1)N(C)C

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