Morroniside
HIT212657756
sdf文件结构编辑类似物检索
HIT ID: HIT212657756
Cas No: 25406-64-8
分子式: C17H26O11
分子量: 406.384
常用名: Morroniside
氢键受体数 (HBA): 10
氢键供体数 (HBD): 5
LogP: -1.9785987
IUPAC: methyl (1S,4aS,8S,8aS)-6-hydroxy-8-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylate
IUPAC: methyl (1S,4aS,8S,8aS)-6-hydroxy-8-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylate
SMILES: COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)OC(O)C[C@H]12 |t:4|
SMILES: COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)OC(O)C[C@H]12 |t:4|
InChI key: YTZSBJLNMIQROD-KKORFXOPSA-N
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