4-hydroxybenzyl glucosinolate; 4-(4-o-acetyl-α-l-rhamnopyranoside)
AlkaPlorer ID: AK029174
Synonym: '', "4-(4'-o-acetyl-alpha-l-rhamnopyranosyloxyl)benzyl glucosinolate"
IUPAC Name: [(2S,3R,4R,5S,6S)-4,5-dihydroxy-2-methyl-6-[4-[(2E)-2-sulfooxyimino-2-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethyl]phenoxy]oxan-3-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1[C@H](O)[C@H](O)[C@H](OC2=CC=C(C/C(=N/OS(=O)(=O)O)S[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C=C2)O[C@H]1C
InChI: InChI=1S/C22H31NO15S2/c1-9-20(35-10(2)25)17(28)18(29)21(34-9)36-12-5-3-11(4-6-12)7-14(23-38-40(31,32)33)39-22-19(30)16(27)15(26)13(8-24)37-22/h3-6,9,13,15-22,24,26-30H,7-8H2,1-2H3,(H,31,32,33)/b23-14-/t9-,13-,15+,16+,17+,18-,19+,20-,21-,22+/m0/s1
InChIKey: GYVDCHYBTDOMRS-XLQXCOHNSA-N
Reference
Isothiocyanates in myrosinase-treated seed extracts of Moringa peregrina
PubChem CID: 172921733
LOTUS: LTS0086576
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Moringa peregrina | Moringa | Moringaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 613.6160000000002
TPSA？: 251.33
MolLogP？: -2.327799999999997
Number of H-Donors: 7
Number of H-Acceptors: 16
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|