Cinnamoside
HIT100572550
sdf文件结构编辑类似物检索
HIT ID: HIT100572550
Cas No: 108567-70-0
分子式: C24H38O12
分子量: 518.556
常用名: Cinnamoside
氢键受体数 (HBA): 12
氢键供体数 (HBD): 7
LogP: -2.271
IUPAC: 4-(2-{[(2S,3R,4S,5S,6R)-6-({[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4-hydroxy-2,6,6-trimethylcyclohexylidene)but-3-en-2-one
IUPAC: 4-(2-{[(2S,3R,4S,5S,6R)-6-({[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4-hydroxy-2,6,6-trimethylcyclohexylidene)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]2OC[C@](O)(CO)[C@H]2O)[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]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChI key: BTXSAHUETCBEGY-MJWMZTCFSA-N
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