2-Amino-1,3-eicosanediol; (2S,3R)-form, N-Docosanoyl, 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK285316
Synonym: Temnoside B
IUPAC Name: N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosan-2-yl]docosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCCC
InChI: InChI=1S/C48H95NO8/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h41-43,45-48,50-51,53-55H,3-40H2,1-2H3,(H,49,52)
InChIKey: QGIBZDMLHXRKDN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Temnopleurus toreumaticus | Temnopleurus | Temnopleuridae | Temnopleuroida | Echinoidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 814.2869999999992
TPSA？: 152.20000000000002
MolLogP？: 11.572299999999991
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|