2,4-Dihydroxy-3-methyl-2-butenoic acid; (E)-form, 4-O-(4-Hydroxybenzoyl), nitrile, 2-O-β-D-glucopyranoside
AlkaPlorer ID: AK296292
Synonym: Isocardiospermin 5-(4-hydroxybenzoate)
IUPAC Name: None
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/h2-5,13-16,18,20-24H,7-8H2,1H3/b12-9+
InChIKey: NDWITYYJTSHYDC-FMIVXFBMSA-N
Reference
CAS: 2118401-99-1
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？: -0.8369200000000003
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|