(3R)-3-cyano-2-methylidene-3-{[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propoxysulfonic acid
AlkaPlorer ID: AK158690
Synonym: None
IUPAC Name: 2-[(R)-cyano-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]prop-2-enyl hydrogen sulfate
Structure
SMILES: C=C(COS(=O)(=O)O)[C@H](C#N)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
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)/t6-,7-,8+,9-,10-,11+/m0/s1
InChIKey: XRVSCIZCEJNBIO-OJHQEIPXSA-N
Reference
Cardiosperminsulfate - a sulphur containing cyanogenic glucoside from cardiospermum grandiflorum
PubChem CID: 162999162
LOTUS: LTS0158674
SuperNatural Ⅲ: SN0438397-03
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 |
|---|