6-O-Methylscandoside methyl ester
HIT219229020
sdf文件结构编辑类似物检索
HIT ID: HIT219229020
Cas No: 655225-30-2
分子式: C18H26O11
分子量: 418.395
常用名: 6-O-Methylscandoside methyl ester
常用名: 6-O-Methylscandoside methyl ester
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (1S,4aS,5R,7aS)-7-(hydroxymethyl)-5-methoxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate
IUPAC: methyl (1S,4aS,5R,7aS)-7-(hydroxymethyl)-5-methoxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate
SMILES: [H][C@]12[C@H](OC)C=C(CO)[C@@]1([H])[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC
SMILES: [H][C@]12[C@H](OC)C=C(CO)[C@@]1([H])[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC
InChI key: XJZRHAMUBWIJEV-FUIAOSIISA-N
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