Betanidin; 5-O-(3-O-Sulfo-β-D-glucopyranoside)
AlkaPlorer ID: AK290593
Synonym: Rivinianin
IUPAC Name: None
Structure
SMILES: O=C(O)C1=CC(=CC=[N+]2C3=CC(O)=C(OC4OC(CO)C(O)C(OS(=O)(=O)O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1
InChI: InChI=1S/C24H26N2O16S/c27-8-17-18(29)20(42-43(37,38)39)19(30)24(41-17)40-16-6-10-5-14(23(35)36)26(13(10)7-15(16)28)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,27,29-30H,4-5,8H2,(H5,28,31,32,33,34,35,36,37,38,39)
InChIKey: ZWNPOCFUIXPBLX-UHFFFAOYSA-N
Reference
CAS: 58115-21-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rivina humilis | Rivina | Petiveriaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 630.5370000000003
TPSA？: 292.74999999999994
MolLogP？: -3.871199999999993
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|