HIT ID: HIT218832950

Cas No:

分子式: C16H19KN2O9S2

分子量: 486.55

常用名: potassium (Z)-[2-(1H-indol-3-yl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino sulfate, Glucobrassicin potassium

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: potassium (Z)-[2-(1H-indol-3-yl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino sulfate

SMILES: [K+].OC[C@H]1O[C@@H](S\C(Cc2c[nH]c3ccccc23)=N/OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI key: NSURXWDIGUNLJB-AGVSWHMJSA-M