4-Hydroxybenzyl glucosinolate; 4-(4-O-Acetyl-α-L-rhamnopyranoside)
AlkaPlorer ID: AK300881
Synonym: 4"-O-Acetylglucomoringin
IUPAC Name: [4,5-dihydroxy-2-methyl-6-[4-[(2Z)-2-sulfooxyimino-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethyl]phenoxy]oxan-3-yl] acetate
Structure
SMILES: CC(=O)OC1C(C)OC(OC2=CC=C(C/C(=N\OS(=O)(=O)O)SC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C1O
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+
InChIKey: GYVDCHYBTDOMRS-OEAKJJBVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Moringa peregrina | Moringa | Moringaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Moringa oleifera | Moringa | Moringaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 613.6160000000003
TPSA？: 251.33
MolLogP？: -2.327799999999996
Number of H-Donors: 7
Number of H-Acceptors: 16
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|