DHBOA-Glc
HIT105810382
sdf文件结构编辑类似物检索
HIT ID: HIT105810382
Cas No: 28512-70-1
分子式: C14H17NO9
分子量: 343.288
常用名: DHBOA-Glc
氢键受体数 (HBA): 9
氢键供体数 (HBD): 6
LogP: -1.609
IUPAC: (2S)-7-hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one
IUPAC: (2S)-7-hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one
SMILES: OC[C@H]1O[C@@H](O[C@@H]2Oc3cc(O)ccc3NC2=O)[C@H](O)[C@@H](O)[C@@H]1O
SMILES: OC[C@H]1O[C@@H](O[C@@H]2Oc3cc(O)ccc3NC2=O)[C@H](O)[C@@H](O)[C@@H]1O
InChI key: VUFDXOACUHDTLI-PUOUXSMHSA-N
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