Zaragozic acid C
HIT212710273
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HIT ID: HIT212710273
Cas No: 146389-62-0
分子式: C40H50O14
分子量: 754.826
常用名: Zaragozic acid C
氢键受体数 (HBA): 12
氢键供体数 (HBD): 5
LogP: 6.304871
IUPAC: (1S,3S,4S,5R,6R,7R)-1-[(4R,5R)-4-(acetyloxy)-5-methyl-6-phenylhexyl]-4,7-dihydroxy-6-{[(4E,6R)-6-methyl-9-phenylnon-4-enoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
IUPAC: (1S,3S,4S,5R,6R,7R)-1-[(4R,5R)-4-(acetyloxy)-5-methyl-6-phenylhexyl]-4,7-dihydroxy-6-{[(4E,6R)-6-methyl-9-phenylnon-4-enoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
SMILES: C[C@H](CCCc1ccccc1)\C=C\CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC[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: C[C@H](CCCc1ccccc1)\C=C\CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC[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: KQMNJFMTGHRJHM-ZFSXNWTMSA-N
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