2-hydroxy-N-[(5E,12E)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-5,12-dien-2-yl]hexadecanamide
AlkaPlorer ID: AK319243
Synonym: None
IUPAC Name: (2R)-2-hydroxy-N-[(2S,3R,5E,12E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-5,12-dien-2-yl]hexadecanamide
Structure
SMILES: CCCCC/C=C/CCCCC/C=C/C[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)[C@H](O)CCCCCCCCCCCCCC
InChI: InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,24,26,32-38,40,42-47H,3-10,12,14-23,25,27-31H2,1-2H3,(H,41,48)/b13-11+,26-24+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1
InChIKey: ITTYRZOACFBARC-HOZZUTDPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Convolvulus scammonia | Convolvulus | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 714.0379999999992
TPSA？: 172.43
MolLogP？: 6.974300000000007
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|