6β-hydroxyl-7-epi-loganin
HIT219228832
sdf文件结构编辑类似物检索
HIT ID: HIT219228832
Cas No: 125410-28-8
分子式: C17H26O11
分子量: 406.384
常用名: 6β-hydroxyl-7-epi-loganin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (1S,4aS,5S,6S,7R,7aR)-5,6-dihydroxy-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
IUPAC: methyl (1S,4aS,5S,6S,7R,7aR)-5,6-dihydroxy-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@@]12[C@@H](C)[C@H](O)[C@@H](O)[C@]1([H])C(=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC
SMILES: [H][C@@]12[C@@H](C)[C@H](O)[C@@H](O)[C@]1([H])C(=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC
InChI key: QDEYKGKBMCIYCT-DPNVIZTASA-N
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