11-O-β-D-glucopyranosyl thamnosmonin
HIT217584402
sdf文件结构编辑类似物检索
HIT ID: HIT217584402
Cas No: 952495-28-2
分子式: C21H26O10
分子量: 438.429
常用名: 11-O-β-D-glucopyranosyl thamnosmonin
常用名: 11-O-β-D-glucopyranosyl thamnosmonin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 6-(2-hydroxy-3-methyl-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-3-en-1-yl)-7-methoxy-2H-chromen-2-one
IUPAC: 6-(2-hydroxy-3-methyl-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-3-en-1-yl)-7-methoxy-2H-chromen-2-one
SMILES: COc1cc2oc(=O)ccc2cc1C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)C(C)=C
SMILES: COc1cc2oc(=O)ccc2cc1C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)C(C)=C
InChI key: MBCRBEHDCIJAQQ-ZIERPOLQSA-N
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SC
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