3-Hydorxybenzyl glucosinolate
AlkaPlorer ID: AK168333
Synonym: 'Glucolepigramin'
IUPAC Name: [(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(3-hydroxyphenyl)-N-sulfooxyethanimidothioate
Structure
SMILES: O=S(=O)(O)O/N=C(\CC1=CC=CC(O)=C1)S[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O
InChI: InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-2-1-3-8(17)4-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10+/t9-,11+,12-,13-,14-/m1/s1
InChIKey: NHGGOERHNDJFBY-ROZJOITRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reseda media | Reseda | Resedaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 425.4370000000001
TPSA？: 186.34
MolLogP？: -1.3993
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|