4-Hydroxy-2-(hydroxymethyl)-2-butenoic acid; (Z)-form, 2,3-Epoxide, nitrile, 4-O-β-D-glucopyranoside
AlkaPlorer ID: AK301192
Synonym: Epoxysarmentosin, Sarmentosin epoxide
IUPAC Name: 2-(hydroxymethyl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxirane-2-carbonitrile
Structure
SMILES: N#CC1(CO)OC1COC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C11H17NO8/c12-3-11(4-14)6(20-11)2-18-10-9(17)8(16)7(15)5(1-13)19-10/h5-10,13-17H,1-2,4H2
InChIKey: MGWCXJDKHMCXRL-UHFFFAOYSA-N
Reference
Sarmentosin epoxide, a new cyanogenic compound from Sedum cepaea
PubChem CID: 4479457
CAS: 81907-02-0
LOTUS: LTS0238119
COCONUT: CNP0136514.6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sedum cepaea | Sedum | Crassulaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 291.256
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 |
|---|