Alangionoside A
HIT212525570
sdf文件结构编辑类似物检索
HIT ID: HIT212525570
Cas No: 156199-49-4
分子式: C19H34O8
分子量: 390.473
常用名: Alangionoside A
氢键受体数 (HBA): 8
氢键供体数 (HBD): 6
LogP: -0.591
IUPAC: (2R,3R,4S,5S,6R)-2-{[(2R,3E)-4-[(1S,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC: (2R,3R,4S,5S,6R)-2-{[(2R,3E)-4-[(1S,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES: C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\[C@@]1(O)[C@H](C)C[C@H](O)CC1(C)C
SMILES: C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\[C@@]1(O)[C@H](C)C[C@H](O)CC1(C)C
InChI key: MRPDHXXPDCVBPQ-QEKTYAEASA-N
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