2-Hydroxy-3-hydroxymethyl-3-butenoic acid; (S)-form, Nitrile, 5-O-(4-hydroxybenzoyl), 2-O-β-D-glucopyranoside
AlkaPlorer ID: AK301186
Synonym: Cardiospermin 5-(4-hydroxybenzoate)
IUPAC Name: 2-[cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]prop-2-enyl 4-hydroxybenzoate
Structure
SMILES: C=C(COC(=O)C1=CC=C(O)C=C1)C(C#N)OC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C18H21NO9/c1-9(8-26-17(25)10-2-4-11(21)5-3-10)12(6-19)27-18-16(24)15(23)14(22)13(7-20)28-18/h2-5,12-16,18,20-24H,1,7-8H2
InChIKey: SPSBHTOJRSLHKS-UHFFFAOYSA-N
Reference
A New Cyanogenic Glycoside from Sorbaria sorbifolia var. stellipila.
PubChem CID: 162938417
LOTUS: LTS0091945
COCONUT: CNP0208650.1
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？: -1.1861200000000005
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|