4-Hydroxy-3-(hydroxymethyl)-2-butenoic acid; Nitrile(E-), O-(4-hydroxybenzoyl), O-β-D-glucopyranoside
AlkaPlorer ID: AK301204
Synonym: Sutherlandin 4-hydroxybenzoate
IUPAC Name: None
Structure
SMILES: N#C/C=C(\COC(=O)C1=CC=C(O)C=C1)COC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C18H21NO9/c19-6-5-10(8-26-17(25)11-1-3-12(21)4-2-11)9-27-18-16(24)15(23)14(22)13(7-20)28-18/h1-5,13-16,18,20-24H,7-9H2/b10-5+
InChIKey: SHZGUAUKXGZOCE-BJMVGYQFSA-N
Reference
CAS: 2120329-48-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sorbaria sorbifolia | Sorbaria | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 395.3640000000001
TPSA？: 169.7
MolLogP？: -1.1845200000000005
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|