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HIT219251639
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HIT219251639
  • HIT ID:HIT219251639
  • Cas No:60382-78-7
  • 常用名:Actinoidin A
  • IUPAC:19-[2-amino-2-(4-hydroxyphenyl)acetamido]-48-({3-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-2-[(4-amino-5-methoxy-6-methyloxan-2-yl)oxy]-22-benzyl-49-chloro-18,32,37-trihydroxy-20,23,26,42,44-pentaoxo-35-{[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:19-[2-amino-2-(4-hydroxyphenyl)acetamido]-48-({3-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-2-[(4-amino-5-methoxy-6-methyloxan-2-yl)oxy]-22-benzyl-49-chloro-18,32,37-trihydroxy-20,23,26,42,44-pentaoxo-35-{[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:FHIABUHDBXFQIT-UHFFFAOYSA-N
  • 分子式:C84H94ClN9O31
  • 分子量:1761.16
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:COC1C(N)CC(OC2C3NC(=O)C(NC(=O)C4NC(=O)C(Cc5ccccc5)NC(=O)C(NC(=O)C(N)c5ccc(O)cc5)C(O)c5ccc(Oc6cc4cc(Oc4ccc2cc4Cl)c6OC2OC(CO)C(O)C(O)C2OC2CC(N)C(O)C(C)O2)cc5)c2ccc(O)c(c2)-c2c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc2C(NC3=O)C(O)=O)OC1C
    SMILES:COC1C(N)CC(OC2C3NC(=O)C(NC(=O)C4NC(=O)C(Cc5ccccc5)NC(=O)C(NC(=O)C(N)c5ccc(O)cc5)C(O)c5ccc(Oc6cc4cc(Oc4ccc2cc4Cl)c6OC2OC(CO)C(O)C(O)C2OC2CC(N)C(O)C(C)O2)cc5)c2ccc(O)c(c2)-c2c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc2C(NC3=O)C(O)=O)OC1C
  • Actinoidin A 是一种糖肽类抗生素 (antibiotic),主要用于针对革兰氏阳性菌。
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