4-Methoxyglucobrassicin
HIT214315616
sdf文件结构编辑类似物检索
HIT ID: HIT214315616
Cas No: 83327-21-3
分子式: C17H22N2O10S2
分子量: 478.49
常用名: 4-Methoxyglucobrassicin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: ({[2-(4-methoxy-1H-indol-3-yl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxy)sulfonic acid
IUPAC: ({[2-(4-methoxy-1H-indol-3-yl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxy)sulfonic acid
SMILES: COc1cccc2[nH]cc(CC(S[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=NOS(O)(=O)=O)c12 |w:24.25|
SMILES: COc1cccc2[nH]cc(CC(S[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=NOS(O)(=O)=O)c12 |w:24.25|
InChI key: IIAGSABLXRZUSE-UFRBAHOGSA-N
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