Aloveroside A
HIT218851535
sdf文件结构编辑类似物检索
HIT ID: HIT218851535
Cas No: 1246930-65-3
分子式: C30H40O17
分子量: 672.633
常用名: Aloveroside A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[4-({[(2R,3R,4R,5R)-3,4-dihydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-1-hydroxy-8-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}naphthalen-2-yl]ethan-1-one
IUPAC: 1-[4-({[(2R,3R,4R,5R)-3,4-dihydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-1-hydroxy-8-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}naphthalen-2-yl]ethan-1-one
SMILES: C[C@@H]1O[C@@H](Oc2cccc3c(CO[C@@H]4OC[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc(C(C)=O)c(O)c23)[C@H](O)[C@H](O)[C@H]1O
SMILES: C[C@@H]1O[C@@H](Oc2cccc3c(CO[C@@H]4OC[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc(C(C)=O)c(O)c23)[C@H](O)[C@H](O)[C@H]1O
InChI key: HCCYPMCFIHZEAY-FHUIRLHESA-N
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SC
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