4-Nitrophenyl 3-O-β-D-glucopyranosyl-β-D-glucopyranoside
HIT217629605
sdf文件结构编辑类似物检索
HIT ID: HIT217629605
Cas No: 26255-70-9
分子式: C18H25NO13
分子量: 463.392
常用名: 4-Nitrophenyl 3-O-β-D-glucopyranosyl-β-D-glucopyranoside
常用名: 4-Nitrophenyl 3-O-β-D-glucopyranosyl-β-D-glucopyranoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC: (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](Oc3ccc(cc3)[N+]([O-])=O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](Oc3ccc(cc3)[N+]([O-])=O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI key: LBTDRWMZFQVCAR-GZQMJUEHSA-N
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