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HIT214320487
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HIT214320487
  • HIT ID:HIT214320487
  • Cas No:114129-89-4
  • 常用名:Cucumarioside C2
  • IUPAC:16-[(3-{[5-({4-[(3,5-dihydroxy-4-methoxyoxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4-hydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-2,6,13,17,17-pentamethyl-6-(4-methylpenta-1,3-dien-1-yl)-8-oxo-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-1(20)-en-4-yl acetate
    IUPAC:16-[(3-{[5-({4-[(3,5-dihydroxy-4-methoxyoxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4-hydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-2,6,13,17,17-pentamethyl-6-(4-methylpenta-1,3-dien-1-yl)-8-oxo-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-1(20)-en-4-yl acetate
  • InChI key:CGCFPNINLAZUDH-UHFFFAOYSA-N
  • 分子式:C60H92O26
  • 分子量:1229.37
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[#6]-[#8]-[#6]-1-[#6](-[#8])-[#6]-[#8]-[#6](-[#8]-[#6]-2-[#6](-[#8])-[#6](-[#6]-[#8])-[#8]-[#6](-[#8]-[#6]-3-[#6](-[#6])-[#8]-[#6](-[#8]-[#6]-4-[#6](-[#8])-[#6](-[#8])-[#6]-[#8]-[#6]-4-[#8]-[#6]4-[#6]-[#6]C5([#6])[#6]-6-[#6]-[#6]C78[#6](-[#6](-[#6]C7([#6])[#6]-6=[#6]-[#6]-[#6]5C4([#6])[#6])-[#8]-[#6](-[#6])=O)C([#6])([#8]-[#6]8=O)[#6]=[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8]-[#6]-4-[#8]-[#6]-[#6](-[#8])-[#6](-[#8])-[#6]-4-[#8])-[#6]-3-[#8])-[#6]-2-[#8])-[#6]-1-[#8] |w:63.68,c:50|
    SMILES:[#6]-[#8]-[#6]-1-[#6](-[#8])-[#6]-[#8]-[#6](-[#8]-[#6]-2-[#6](-[#8])-[#6](-[#6]-[#8])-[#8]-[#6](-[#8]-[#6]-3-[#6](-[#6])-[#8]-[#6](-[#8]-[#6]-4-[#6](-[#8])-[#6](-[#8])-[#6]-[#8]-[#6]-4-[#8]-[#6]4-[#6]-[#6]C5([#6])[#6]-6-[#6]-[#6]C78[#6](-[#6](-[#6]C7([#6])[#6]-6=[#6]-[#6]-[#6]5C4([#6])[#6])-[#8]-[#6](-[#6])=O)C([#6])([#8]-[#6]8=O)[#6]=[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8]-[#6]-4-[#8]-[#6]-[#6](-[#8])-[#6](-[#8])-[#6]-4-[#8])-[#6]-3-[#8])-[#6]-2-[#8])-[#6]-1-[#8] |w:63.68,c:50|
  • Cucumarioside C2 is a sea cucumber glycoside.
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