Name: Altromycin G
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212711660
Cas No:134887-79-9
常用名:Altromycin G
IUPAC:methyl 2-(10-{4-amino-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4,6-dimethyloxan-2-yl}-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-5-yl)-2-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)-2-hydroxyacetate
IUPAC:methyl 2-(10-{4-amino-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4,6-dimethyloxan-2-yl}-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-5-yl)-2-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)-2-hydroxyacetate
InChI key:HUERDIYXSZKKMF-UHFFFAOYSA-N

分子式:C45H55NO18
分子量:897.924
氢键供体数 (HBD):6
氢键受体数 (HBA):18
LogP:0.5866168
SMILES:COC1CC(OC2C(C)OC(CC2(C)N)c2ccc3C(=O)c4cc(c5c(oc(cc5=O)C5(C)OC5C)c4C(=O)c3c2O)C(O)(C2OC(C)C(O)C(OC)C2O)C(=O)OC)OC(C)C1O
SMILES:COC1CC(OC2C(C)OC(CC2(C)N)c2ccc3C(=O)c4cc(c5c(oc(cc5=O)C5(C)OC5C)c4C(=O)c3c2O)C(O)(C2OC(C)C(O)C(OC)C2O)C(=O)OC)OC(C)C1O

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