4-(Glucosyldithio)butyl glucosinolate
AlkaPlorer ID: AK299343
Synonym: 4-(β-D-Glucopyranosyldithio)butyl glucosinolate, Diglucothiobeinin
IUPAC Name: None
Structure
SMILES: O=S(=O)(O)[N+]([O-])=C(CCCCSSC1OC(CO)C(O)C(O)C1O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C17H31NO14S4/c19-5-7-10(21)12(23)14(25)16(31-7)34-9(18(27)36(28,29)30)3-1-2-4-33-35-17-15(26)13(24)11(22)8(6-20)32-17/h7-8,10-17,19-26H,1-6H2,(H,28,29,30)
InChIKey: BXTTXLKRUOKFQU-UHFFFAOYSA-N
Reference
CAS: 929896-75-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Eruca | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 601.6960000000004
TPSA？: 260.73999999999995
MolLogP？: -3.417299999999998
Number of H-Donors: 9
Number of H-Acceptors: 16
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|