2-Hydroxy-3-hydroxymethyl-3-butenoic acid; (S)-form, Nitrile, 2-O-β-D-glucopyranoside, 5-sulfate
AlkaPlorer ID: AK301190
Synonym: Cardiospermin 5-sulfate
IUPAC Name: 2-[cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]prop-2-enyl hydrogen sulfate
Structure
SMILES: C=C(COS(=O)(=O)O)C(C#N)OC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C11H17NO10S/c1-5(4-20-23(17,18)19)6(2-12)21-11-10(16)9(15)8(14)7(3-13)22-11/h6-11,13-16H,1,3-4H2,(H,17,18,19)
InChIKey: XRVSCIZCEJNBIO-UHFFFAOYSA-N
Reference
Cardiosperminsulfate - a sulphur containing cyanogenic glucoside from cardiospermum grandiflorum
PubChem CID: 162999160
LOTUS: LTS0178661
COCONUT: CNP0272773.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cardiospermum grandiflorum | Cardiospermum | Sapindaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 355.321
TPSA？: 186.77
MolLogP？: -2.9293199999999984
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|