Demethylagrimonolide 6-O-glucoside
HIT214317232
sdf文件结构编辑类似物检索
HIT ID: HIT214317232
Cas No: 1257408-55-1
分子式: C23H26O10
分子量: 462.451
常用名: Demethylagrimonolide 6-O-glucoside
常用名: Demethylagrimonolide 6-O-glucoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S)-8-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-1H-2-benzopyran-1-one
IUPAC: (3S)-8-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-1H-2-benzopyran-1-one
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)O[C@@H](CCc4ccc(O)cc4)Cc3c2)[C@H](O)[C@@H](O)[C@@H]1O
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)O[C@@H](CCc4ccc(O)cc4)Cc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChI key: QGOYZOZLRJZGAK-XMFIXVCISA-N
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