2-Hydroxy-2-(3-hydroxyphenyl)acetic acid; (S)-form, Nitrile, 2-O-[β-D-xylopyranosyl-(1→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK301240
Synonym: Zierinxyloside
IUPAC Name: 2-(3-hydroxyphenyl)-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyacetonitrile
Structure
SMILES: N#CC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1=CC=CC(O)=C1
InChI: InChI=1S/C19H25NO11/c20-5-11(8-2-1-3-9(21)4-8)30-19-17(27)15(25)14(24)12(31-19)7-29-18-16(26)13(23)10(22)6-28-18/h1-4,10-19,21-27H,6-7H2
InChIKey: KVKFUQZWWCGWAN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xeranthemum cylindraceum | Xeranthemum | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 443.4050000000001
TPSA？: 202.32
MolLogP？: -2.7633199999999984
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|