2-Hydroxy-1-hydroxymethylpyrrolizidine; (1S,2R,7aS)-form, O2-Angeloyl, O1'-[β-D-glucopyranosyl-(→4)-4-hydroxy-E-cinnamoyl]
AlkaPlorer ID: AK301231
Synonym: Petasinoside A
IUPAC Name: None
Structure
SMILES: C/C=C(/C)C(=O)OC1CN2CCCC2C1COC(=O)/C=C/C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1
InChI: InChI=1S/C28H37NO10/c1-3-16(2)27(35)38-21-13-29-12-4-5-20(29)19(21)15-36-23(31)11-8-17-6-9-18(10-7-17)37-28-26(34)25(33)24(32)22(14-30)39-28/h3,6-11,19-22,24-26,28,30,32-34H,4-5,12-15H2,1-2H3/b11-8+,16-3-
InChIKey: XKVVGQKTYLNWCM-BVLXRSIWSA-N
Reference
CAS: 1263175-30-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio nemorensis | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 547.6010000000002
TPSA？: 155.22
MolLogP？: 0.3939000000000011
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|