Zaragozic acid A trisodium
HIT218849908
sdf文件结构编辑类似物检索
HIT ID: HIT218849908
Cas No:
分子式: C35H43Na3O14
分子量: 756.684
常用名: Zaragozic acid A trisodium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: trisodium (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate
IUPAC: trisodium (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate
SMILES: [Na+].[Na+].[Na+].CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C([O-])=O)[C@@](O)([C@H](O2)C([O-])=O)C([O-])=O
SMILES: [Na+].[Na+].[Na+].CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C([O-])=O)[C@@](O)([C@H](O2)C([O-])=O)C([O-])=O
InChI key: XOQORTLVGZYJMB-BDIFPLNKSA-K
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