2-Hydroxy-2-(3-hydroxyphenyl)acetic acid; (R)-form, Nitrile, 2-O-(6-O-acetyl-β-D-glucopyranoside)
AlkaPlorer ID: AK301237
Synonym: 6''-O-Acetylholocalin
IUPAC Name: [6-[cyano-(3-hydroxyphenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Structure
SMILES: CC(=O)OCC1OC(OC(C#N)C2=CC=CC(O)=C2)C(O)C(O)C1O
InChI: InChI=1S/C16H19NO8/c1-8(18)23-7-12-13(20)14(21)15(22)16(25-12)24-11(6-17)9-3-2-4-10(19)5-9/h2-5,11-16,19-22H,7H2,1H3
InChIKey: NIVXKMKLZUXGSY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sambucus nigra | Sambucus | Adoxaceae | Dipsacales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 353.32700000000006
TPSA？: 149.47
MolLogP？: -0.6558200000000003
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|