Citroside A or B
HIT106383484
sdf文件结构编辑类似物检索
HIT ID: HIT106383484
Cas No:
分子式: C19H30O8
分子量: 386.441
常用名: Citroside A or B
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: -0.994
IUPAC: 4-(4-hydroxy-2,2,6-trimethyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)but-3-en-2-one
IUPAC: 4-(4-hydroxy-2,2,6-trimethyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)but-3-en-2-one
SMILES: CC(=O)C=C=C1C(C)(C)CC(O)CC1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILES: CC(=O)C=C=C1C(C)(C)CC(O)CC1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI key: XTODSGVDHGMKSN-QOEUTKMXSA-N
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