Pomegralignan
HIT213887514
sdf文件结构编辑类似物检索
HIT ID: HIT213887514
Cas No: 1562492-32-3
分子式: C24H28O12
分子量: 508.476
常用名: Pomegralignan
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylate
IUPAC: (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylate
SMILES: COc1cc(cc2[C@H](CO)[C@H](Oc12)c1ccc(O)c(OC)c1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILES: COc1cc(cc2[C@H](CO)[C@H](Oc12)c1ccc(O)c(OC)c1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI key: DRSIREWMODXMBU-WTJKROCISA-N
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