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HIT214320499
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HIT214320499
  • HIT ID:HIT214320499
  • Cas No:114066-51-2
  • 常用名:Sarasinoside C1
  • 别名:Sarasinoside-C1
  • IUPAC:N-{2-[(6-{[6,6,9a,11a-tetramethyl-1-(6-methyl-4-oxohept-5-en-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-5-[(3-acetamido-4,5-dihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4-hydroxyoxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}acetamide
    IUPAC:N-{2-[(6-{[6,6,9a,11a-tetramethyl-1-(6-methyl-4-oxohept-5-en-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-5-[(3-acetamido-4,5-dihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4-hydroxyoxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}acetamide
  • InChI key:WQPAMXVSIZMQQI-UHFFFAOYSA-N
  • 分子式:C55H88N2O20
  • 分子量:1097.303
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[#6]-[#6](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6]1-[#6]-[#6]-[#6]2-[#6]-3=[#6](-[#6]-[#6]C12[#6])C1([#6])[#6]-[#6]-[#6](-[#8]-[#6]-2-[#8]-[#6]-[#6](-[#8]-[#6]-4-[#8]-[#6](-[#6]-[#8])-[#6](-[#8])-[#6](-[#8])-[#6]-4-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#6]-2-[#8]-[#6]-2-[#8]-[#6](-[#6]-[#8]-[#6]-4-[#8]-[#6]-[#6](-[#8])-[#6](-[#8])-[#6]-4-[#8])-[#6](-[#8])-[#6](-[#8])-[#6]-2-[#7]-[#6](-[#6])=O)C([#6])([#6])[#6]1-[#6]-[#6]-3 |c:13|
    SMILES:[#6]-[#6](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6]1-[#6]-[#6]-[#6]2-[#6]-3=[#6](-[#6]-[#6]C12[#6])C1([#6])[#6]-[#6]-[#6](-[#8]-[#6]-2-[#8]-[#6]-[#6](-[#8]-[#6]-4-[#8]-[#6](-[#6]-[#8])-[#6](-[#8])-[#6](-[#8])-[#6]-4-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#6]-2-[#8]-[#6]-2-[#8]-[#6](-[#6]-[#8]-[#6]-4-[#8]-[#6]-[#6](-[#8])-[#6](-[#8])-[#6]-4-[#8])-[#6](-[#8])-[#6](-[#8])-[#6]-2-[#7]-[#6](-[#6])=O)C([#6])([#6])[#6]1-[#6]-[#6]-3 |c:13|
  • Sarasinoside C1 is a norlanostane-triterpenoid oligoglycoside from the Palauan marine sponge Asteropus sarasinosum.
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    TargetMolSC
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