4-Hydroxy-3-(hydroxymethyl)-2-butenoic acid; Nitrile, 2S,3R-epoxide, O-β-D-glucopyranoside
AlkaPlorer ID: AK301202
Synonym: Sutherlandin epoxide
IUPAC Name: 3-(hydroxymethyl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxirane-2-carbonitrile
Structure
SMILES: N#CC1OC1(CO)COC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C11H17NO8/c12-1-6-11(3-14,20-6)4-18-10-9(17)8(16)7(15)5(2-13)19-10/h5-10,13-17H,2-4H2
InChIKey: AGBINTPCVYIOJW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodotypos scandens | Rhodotypos | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Exochorda giraldii | Exochorda | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Exochorda serratifolia | Exochorda | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 291.25600000000003
TPSA？: 155.93
MolLogP？: -3.54362
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|