Xanthiazone; 11-O-[β-D-Apiofuranosyl-(1→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK317924
Synonym: None
IUPAC Name: 7-[[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-8,8-dimethyl-4H-1,4-benzothiazine-3,5-dione
Structure
SMILES: CC1(C)C(COC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)=CC(=O)C2=C1SCC(=O)N2
InChI: InChI=1S/C22H31NO12S/c1-21(2)9(3-10(25)13-18(21)36-6-12(26)23-13)4-32-19-16(29)15(28)14(27)11(35-19)5-33-20-17(30)22(31,7-24)8-34-20/h3,11,14-17,19-20,24,27-31H,4-8H2,1-2H3,(H,23,26)
InChIKey: ZIMPSOSMBUYKHV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xanthium sibiricum | Xanthium | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 533.5520000000001
TPSA？: 204.47
MolLogP？: -3.122299999999996
Number of H-Donors: 7
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|