2-Amino-4-octadecene-1,3-diol; (2S,3R,4E)-form, N-Heptadecanoyl, 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK286812
Synonym: None
IUPAC Name: N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]heptadecanamide
Structure
SMILES: CCCCCCCCCCCCC/C=C/C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCC
InChI: InChI=1S/C41H79NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(45)42-34(33-49-41-40(48)39(47)38(46)36(32-43)50-41)35(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h28,30,34-36,38-41,43-44,46-48H,3-27,29,31-33H2,1-2H3,(H,42,45)/b30-28+
InChIKey: VQADGGHNXABKOV-SJCQXOIGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bugula neritina | Bugula | Bugulidae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 714.0819999999992
TPSA？: 148.71
MolLogP？: 7.777300000000007
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|