Name: 2'''-Hydroxychlorothricin
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219600446
Cas No:111810-18-5
常用名:2'''-Hydroxychlorothricin
IUPAC:17-[(5-{[4-(3-chloro-6-methoxy-2-methylbenzoyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.0^{1,6}.0^{13,22}.0^{16,21}]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid
IUPAC:17-[(5-{[4-(3-chloro-6-methoxy-2-methylbenzoyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.0^{1,6}.0^{13,22}.0^{16,21}]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid
InChI key:BOAFKDAAUUBJJK-UHFFFAOYSA-N

分子式:C50H63ClO17
分子量:971.49
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(Cl)c(C)c1C(=O)OC1CC(OC2C(C)OC(OC3CCCC4C3C=CC3CCCCC=CC5C=C(C(C)CC55OC(=O)C(OC(=O)C43C)=C5O)C(O)=O)C(O)C2O)OC(C)C1O
SMILES:COc1ccc(Cl)c(C)c1C(=O)OC1CC(OC2C(C)OC(OC3CCCC4C3C=CC3CCCCC=CC5C=C(C(C)CC55OC(=O)C(OC(=O)C43C)=C5O)C(O)=O)C(O)C2O)OC(C)C1O

Hydroxychlorothricin 是氯丁菌肽类抗生素，存在于链霉 K818 中。Hydroxychlorothricin 展现了抗肿瘤的功效，能够延长癌症细胞免疫 ICR 小鼠的生存时间。

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