Ampelopsisionoside
HIT212525890
sdf文件结构编辑类似物检索
HIT ID: HIT212525890
Cas No: 138665-44-8
分子式: C19H32O8
分子量: 388.457
常用名: Ampelopsisionoside
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: -0.384
IUPAC: (4S,5R)-4-hydroxy-3,3,5-trimethyl-4-[(1E,3R)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohexan-1-one
IUPAC: (4S,5R)-4-hydroxy-3,3,5-trimethyl-4-[(1E,3R)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohexan-1-one
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)CC(=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)CC(=O)CC1(C)C
InChI key: QFTPTUOKFIIFJH-MODFVPIOSA-N
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