Name: Chloropolysporin C
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219599978
Cas No:105650-12-2
常用名:Chloropolysporin C
IUPAC:2-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-47,49-dichloro-22-(3-chloro-4-hydroxyphenyl)-32,35,37-trihydroxy-19-[2-(4-hydroxyphenyl)-2-(methylamino)acetamido]-20,23,26,42,44-pentaoxo-18,48-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^{3,6}.2^{14,17}.1^{8,12}.1^{29,33}.0^{10,25}.0^{34,39}]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
IUPAC:2-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-47,49-dichloro-22-(3-chloro-4-hydroxyphenyl)-32,35,37-trihydroxy-19-[2-(4-hydroxyphenyl)-2-(methylamino)acetamido]-20,23,26,42,44-pentaoxo-18,48-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^{3,6}.2^{14,17}.1^{8,12}.1^{29,33}.0^{10,25}.0^{34,39}]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
InChI key:ZRPIIHCQSYHVEJ-UHFFFAOYSA-N

分子式:C77H79Cl3N8O30
分子量:1702.86
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNC(C(=O)NC1C(OC2OC(CO)C(O)C(O)C2O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)C(OC5CC(N)C(O)C(C)O5)C5NC(=O)C(NC(=O)C4NC(=O)C(NC1=O)c1ccc(O)c(Cl)c1)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(NC5=O)C(O)=O)c3OC1OC(CO)C(O)C(O)C1O)c(Cl)c2)c1ccc(O)cc1
SMILES:CNC(C(=O)NC1C(OC2OC(CO)C(O)C(O)C2O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)C(OC5CC(N)C(O)C(C)O5)C5NC(=O)C(NC(=O)C4NC(=O)C(NC1=O)c1ccc(O)c(Cl)c1)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(NC5=O)C(O)=O)c3OC1OC(CO)C(O)C(O)C1O)c(Cl)c2)c1ccc(O)cc1

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