Citrifolinoside A
HIT214319248
sdf文件结构编辑类似物检索
HIT ID: HIT214319248
Cas No: 350590-52-2
分子式: C26H28O14
分子量: 564.496
常用名: Citrifolinoside A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (1'S,2S,2'S,3R,4E,4'S,6'S,7'S)-3-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxo-7'-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3',8'-dioxaspiro[oxolane-2,5'-tricyclo[4.4.0.0^{2,4}]decan]-9'-ene-10'-carboxylate
IUPAC: methyl (1'S,2S,2'S,3R,4E,4'S,6'S,7'S)-3-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxo-7'-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3',8'-dioxaspiro[oxolane-2,5'-tricyclo[4.4.0.0^{2,4}]decan]-9'-ene-10'-carboxylate
SMILES: [H][C@@]12O[C@]1([H])[C@]1(OC(=O)\C(=C\c3ccc(O)cc3)[C@H]1O)[C@@]1([H])[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@@]21[H] |t:40|
SMILES: [H][C@@]12O[C@]1([H])[C@]1(OC(=O)\C(=C\c3ccc(O)cc3)[C@H]1O)[C@@]1([H])[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@@]21[H] |t:40|
InChI key: PPNNIWJAKIMLID-HWPSEDJLSA-N
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