1-Hydroxymethylpyrrolizidine; (1R,7aR)-form, O-[β-D-Glucopyranosyl-(→4)-4-hydroxy-E-cinnamoyl]
AlkaPlorer ID: AK301582
Synonym: Thesinine 4'-glucoside
IUPAC Name: 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl (E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
Structure
SMILES: O=C(/C=C/C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1)OCC1CCN2CCCC12
InChI: InChI=1S/C23H31NO8/c25-12-18-20(27)21(28)22(29)23(32-18)31-16-6-3-14(4-7-16)5-8-19(26)30-13-15-9-11-24-10-1-2-17(15)24/h3-8,15,17-18,20-23,25,27-29H,1-2,9-13H2/b8-5+
InChIKey: VRWXOVDCMDXQDO-VMPITWQZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Borago officinalis | Borago | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 449.50000000000034
TPSA？: 128.92000000000002
MolLogP？: -0.0940000000000003
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|