2-Hydroxy-6-(hydroxymethyl)-3-methylbenzoic acid; Nitrile, 1'-O-β-D-glucopyranoside
AlkaPlorer ID: AK301211
Synonym: Crenulatanoside A
IUPAC Name: 2-hydroxy-3-methyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]benzonitrile
Structure
SMILES: CC1=CC=C(COC2OC(CO)C(O)C(O)C2O)C(C#N)=C1O
InChI: InChI=1S/C15H19NO7/c1-7-2-3-8(9(4-16)11(7)18)6-22-15-14(21)13(20)12(19)10(5-17)23-15/h2-3,10,12-15,17-21H,5-6H2,1H3
InChIKey: GVWDSUNSMCEEJG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodiola crenulata | Rhodiola | Crassulaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.3170000000001
TPSA？: 143.4
MolLogP？: -1.1112
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|