Name: Roseorubicin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600246
Cas No:70559-00-1
常用名:Roseorubicin A
IUPAC:7-{[4-(dimethylamino)-5-{[4-(dimethylamino)-5-{[4-hydroxy-5-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-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:7-{[4-(dimethylamino)-5-{[4-(dimethylamino)-5-{[4-hydroxy-5-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-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:IWFXKTHFKLCDQJ-UHFFFAOYSA-N

分子式:C54H78N2O18
分子量:1043.214
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC1(O)CCc2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2C1OC1CC(C(OC2CC(C(OC3CC(O)C(OC4CCC(OC5CCC(O)C(C)O5)C(C)O4)C(C)O3)C(C)O2)N(C)C)C(C)O1)N(C)C
SMILES:CCC1(O)CCc2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2C1OC1CC(C(OC2CC(C(OC3CC(O)C(OC4CCC(OC5CCC(O)C(C)O5)C(C)O4)C(C)O3)C(C)O2)N(C)C)C(C)O1)N(C)C

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