Name: Avidinorubicin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912903
Cas No:135447-13-1
常用名:Avidinorubicin
IUPAC:4-{[6-({4-amino-6-[(4-amino-6-{[23-(dimethylamino)-10-{[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-8,12,15,22-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.0^{2,19}.0^{5,18}.0^{7,16}.0^{9,14}]pentacosa-2,4,7(16),8,14,18-hexaen-24-yl]oxy}-2,4-dimethyloxan-3-yl)oxy]-2,4-dimethyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-4-oxobutanoic acid
IUPAC:4-{[6-({4-amino-6-[(4-amino-6-{[23-(dimethylamino)-10-{[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-8,12,15,22-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.0^{2,19}.0^{5,18}.0^{7,16}.0^{9,14}]pentacosa-2,4,7(16),8,14,18-hexaen-24-yl]oxy}-2,4-dimethyloxan-3-yl)oxy]-2,4-dimethyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-4-oxobutanoic acid
InChI key:InChIKey=XMRHMVSZMLOUMS-UHFFFAOYSA-N

分子式:C60H86N4O22
分子量:1215.354
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC1CC(OC2C(C)OC(CC2(C)N)OC2C(C)OC(CC2(C)N)OC2C(C(O)C3Oc4c(ccc5C(=O)c6c(O)c7C(CC(C)(O)Cc7c(O)c6C(=O)c45)OC4CC(C(O)C(C)O4)N(C)C)C2(C)O3)N(C)C)OC(C)C1OC(=O)CCC(O)=O
SMILES:COC1CC(OC2C(C)OC(CC2(C)N)OC2C(C)OC(CC2(C)N)OC2C(C(O)C3Oc4c(ccc5C(=O)c6c(O)c7C(CC(C)(O)Cc7c(O)c6C(=O)c45)OC4CC(C(O)C(C)O4)N(C)C)C2(C)O3)N(C)C)OC(C)C1OC(=O)CCC(O)=O

Avidinorubicin is a novel anthracycline with platelet aggregation inhibitory activity.

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