methyl (1S,4aS,6S,7S,7aS)-6-hydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate, 8-Epiloganin, 8-表马钱子苷
HIT218683071
sdf文件结构编辑类似物检索
HIT ID: HIT218683071
Cas No: 79172-04-6
分子式: C17H26O10
分子量: 390.385
常用名: methyl (1S,4aS,6S,7S,7aS)-6-hydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate, 8-Epiloganin, 8-表马钱子苷
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (1S,4aS,6S,7S,7aS)-6-hydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate
SMILES: [H][C@]12C[C@H](O)[C@@H](C)[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: AMBQHHVBBHTQBF-OZIIXKNCSA-N
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