Betanidin; 5-O-[β-D-Glucuronopyranosyl-(1→2)-β-D-glucopyranoside]
AlkaPlorer ID: AK290572
Synonym: Amaranthin, Amarantin
IUPAC Name: 5-[3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-2,3-dihydroindol-1-ium-2-carboxylate
Structure
SMILES: O=C(O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1
InChI: InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47)
InChIKey: ATSKDYKYMQVTGH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amaranthus tricolor | Amaranthus | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Amaranthus caudatus | Amaranthus | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Celosia | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 726.5970000000002
TPSA？: 345.5999999999999
MolLogP？: -5.78179999999999
Number of H-Donors: 11
Number of H-Acceptors: 17
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|