Name: Demethylmacrocin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600153
Cas No:79404-98-1
常用名:Demethylmacrocin
IUPAC:2-[6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
IUPAC:2-[6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
InChI key:ALZAOGATQMXJKX-UHFFFAOYSA-N

分子式:C44H73NO17
分子量:888.058
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(O)C1O
SMILES:CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(O)C1O

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