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HIT218852533
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HIT218852533
  • HIT ID:HIT218852533
  • Cas No:173614-59-0
  • 常用名:[(2R,3R,4S,5S)-5-[(acetyloxy)methyl]-5-{[(2R,3R,4S,5S,6R)-3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    常用名:[(2R,3R,4S,5S)-5-[(acetyloxy)methyl]-5-{[(2R,3R,4S,5S,6R)-3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • IUPAC:[(2R,3R,4S,5S)-5-[(acetyloxy)methyl]-5-{[(2R,3R,4S,5S,6R)-3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    IUPAC:[(2R,3R,4S,5S)-5-[(acetyloxy)methyl]-5-{[(2R,3R,4S,5S,6R)-3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • InChI key:OGAPXYQOTIOKDV-RODZTRATSA-N
  • 分子式:C40H46O21
  • 分子量:862.787
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:COc1cc(\C=C\C(=O)OC[C@H]2O[C@@](COC(C)=O)(O[C@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]3OC(C)=O)[C@@H](OC(=O)\C=C\c3ccc(O)c(OC)c3)[C@@H]2O)ccc1O
    SMILES:COc1cc(\C=C\C(=O)OC[C@H]2O[C@@](COC(C)=O)(O[C@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]3OC(C)=O)[C@@H](OC(=O)\C=C\c3ccc(O)c(OC)c3)[C@@H]2O)ccc1O
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