locustoside A
AlkaPlorer ID: AK175948
Synonym: None
IUPAC Name: 6-amino-3-(3-methylbut-2-enyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]purin-2-one
Structure
SMILES: CC(C)=CCN1C(O)=NC(=N)C2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C16H23N5O6/c1-7(2)3-4-20-14-9(13(17)19-16(20)26)21(6-18-14)15-12(25)11(24)10(23)8(5-22)27-15/h3,6,8,10-12,15,22-25H,4-5H2,1-2H3,(H2,17,19,26)/t8-,10-,11+,12-,15-/m1/s1
InChIKey: KPQOKZBKDUUWME-RZJSXJPMSA-N
Reference
Locustoside A — A new purine alkaloid glucoside from seeds of Gleditsia japonica
PubChem CID: 102261380
LOTUS: LTS0275763
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gleditsia japonica | Gleditsia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 381.3890000000001
TPSA？: 169.86999999999998
MolLogP？: -1.64353
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|