Galloylalbiflorin
HIT218850894
sdf文件结构编辑类似物检索
HIT ID: HIT218850894
Cas No: 929042-36-4
分子式: C30H32O15
分子量: 632.571
常用名: Galloylalbiflorin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [(2R,3S,4S,5R,6S)-6-{[(1R,3R,4R,6S,9S)-9-[(benzoyloxy)methyl]-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0^{3,9}]nonan-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
IUPAC: [(2R,3S,4S,5R,6S)-6-{[(1R,3R,4R,6S,9S)-9-[(benzoyloxy)methyl]-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0^{3,9}]nonan-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
SMILES: [H][C@@]12C[C@@]3(O[C@@H]4O[C@H](COC(=O)c5cc(O)c(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)[C@]1(COC(=O)c1ccccc1)C(=O)O[C@@]3(C)C[C@H]2O
SMILES: [H][C@@]12C[C@@]3(O[C@@H]4O[C@H](COC(=O)c5cc(O)c(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)[C@]1(COC(=O)c1ccccc1)C(=O)O[C@@]3(C)C[C@H]2O
InChI key: NKYKOCKNAQIWRZ-GWMFRZHWSA-N
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