Name: O-Demethylpaulomycin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219599829
Cas No:113603-74-0
常用名:O-Demethylpaulomycin A
IUPAC:5-{6-[(acetyloxy)methyl]-4-[(4,5-dihydroxy-6-methyl-5-{1-[(2-methylbutanoyl)oxy]ethyl}oxan-2-yl)oxy]-3-hydroxy-5-[(2-isothiocyanatobut-2-enoyl)oxy]oxan-2-yl}-2-amino-5-hydroxy-3,6-dioxocyclohex-1-ene-1-carboxylic acid
IUPAC:5-{6-[(acetyloxy)methyl]-4-[(4,5-dihydroxy-6-methyl-5-{1-[(2-methylbutanoyl)oxy]ethyl}oxan-2-yl)oxy]-3-hydroxy-5-[(2-isothiocyanatobut-2-enoyl)oxy]oxan-2-yl}-2-amino-5-hydroxy-3,6-dioxocyclohex-1-ene-1-carboxylic acid
InChI key:KDRLCZSKCPVIST-UHFFFAOYSA-N

分子式:C33H44N2O17S
分子量:772.77
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)C(=O)OC(C)C1(O)C(C)OC(CC1O)OC1C(O)C(OC(COC(C)=O)C1OC(=O)C(=CC)N=C=S)C1(O)CC(=O)C(N)=C(C(O)=O)C1=O
SMILES:CCC(C)C(=O)OC(C)C1(O)C(C)OC(CC1O)OC1C(O)C(OC(COC(C)=O)C1OC(=O)C(=CC)N=C=S)C1(O)CC(=O)C(N)=C(C(O)=O)C1=O

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