6'-Malonyltrifolirhizin
HIT107246466
sdf文件结构编辑类似物检索
HIT ID: HIT107246466
Cas No: 135574-57-1
分子式: C25H24O13
分子量: 532.454
常用名: 6'-Malonyltrifolirhizin
氢键受体数 (HBA): 12
氢键供体数 (HBD): 4
LogP: 0.355
IUPAC: 3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,18}]icosa-2(10),3,8,13(18),14,16-hexaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid
IUPAC: 3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,18}]icosa-2(10),3,8,13(18),14,16-hexaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid
SMILES: O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2ccc3[C@@H]4Oc5cc6OCOc6cc5[C@@H]4COc3c2)[C@H](O)[C@H]1O
SMILES: O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2ccc3[C@@H]4Oc5cc6OCOc6cc5[C@@H]4COc3c2)[C@H](O)[C@H]1O
InChI key: ZHXRWFOBROFZAC-LVYGOKBNSA-N
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