2-Amino-1,3-eicosanediol; (2S,3R)-form, N-(2R-Hydroxytricosanoyl), 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK285317
Synonym: Temnoside A
IUPAC Name: 2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosan-2-yl]tricosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCCC
InChI: InChI=1S/C49H97NO9/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(53)48(57)50-41(40-58-49-47(56)46(55)45(54)44(39-51)59-49)42(52)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h41-47,49,51-56H,3-40H2,1-2H3,(H,50,57)
InChIKey: GCXIXAHRVCWMFY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Temnopleurus toreumaticus | Temnopleurus | Temnopleuridae | Temnopleuroida | Echinoidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 844.3129999999993
TPSA？: 172.42999999999998
MolLogP？: 10.9332
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|