4-Hydroxybenzyl glucosinolate; 4-O-α-L-Rhamnopyranoside
AlkaPlorer ID: AK024764
Synonym: '', '4-(alpha-L-Rhamnopyranosyloxy)benzyl glucosinolate', '4-Rhamnosyloxybenzylglucosinolate potassium salt'
IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxy-2-[4-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]ethanimidothioate
Structure
SMILES: C[C@@H]1O[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)[C@H](O)[C@@H](O)[C@H]1O
InChI: InChI=1S/C20H29NO14S2/c1-8-13(23)15(25)17(27)19(32-8)33-10-4-2-9(3-5-10)6-12(21-35-37(29,30)31)36-20-18(28)16(26)14(24)11(7-22)34-20/h2-5,8,11,13-20,22-28H,6-7H2,1H3,(H,29,30,31)/b21-12-/t8-,11-,13-,14-,15-,16-,17+,18+,19-,20+/m0/s1
InChIKey: DMPSBIMDSBBEQA-DMJJIJCRSA-N
Reference
Isothiocyanates in myrosinase-treated seed extracts of Moringa peregrina
PubChem CID: 154496022
LOTUS: LTS0162032
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Moringa peregrina | Moringa | Moringaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 571.5790000000003
TPSA？: 245.26
MolLogP？: -2.898599999999998
Number of H-Donors: 8
Number of H-Acceptors: 15
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|