bonaroside
AlkaPlorer ID: AK138624
Synonym: None
IUPAC Name: (E)-N-[3,4,12-trihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexadec-9-enamide
Structure
SMILES: CCCCCC/C=C/CCCCCCCC(O)=NC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)C(O)CCCCCCCC(O)CCCCCC
InChI: InChI=1S/C40H77NO10/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-28-35(45)41-32(30-50-40-39(49)38(48)37(47)34(29-42)51-40)36(46)33(44)27-23-19-17-18-22-26-31(43)25-21-8-6-4-2/h11-12,31-34,36-40,42-44,46-49H,3-10,13-30H2,1-2H3,(H,41,45)/b12-11+/t31?,32?,33?,34-,36?,37-,38+,39-,40-/m1/s1
InChIKey: KNARYUCFPVYOGC-BBBSYOMNSA-N
Reference
Glycosides and xanthine oxidase inhibitors from Conyza bonariensis
PubChem CID: 11136363
LOTUS: LTS0098067
NPASS: NPC84416
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Conyza bonariensis | Conyza | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 732.0529999999993
TPSA？: 192.66
MolLogP？: 6.169100000000005
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|