Asteriacerebroside A
AlkaPlorer ID: AK053199
Synonym: ''
IUPAC Name: (2S)-2-hydroxy-N-[(2S,3S,4E,12E)-3-hydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhenicosa-4,12-dien-2-yl]hexadecanamide
Structure
SMILES: CCCCCCCC/C=C/CCCCCC/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/C43H81NO9/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-36(46)35(34-52-43-41(50)40(49)39(48)38(33-45)53-43)44-42(51)37(47)32-30-28-26-24-21-16-14-12-10-8-6-4-2/h17-18,29,31,35-41,43,45-50H,3-16,19-28,30,32-34H2,1-2H3,(H,44,51)/b18-17+,31-29+/t35-,36-,37-,38+,39-,40-,41+,43-/m0/s1
InChIKey: GDGXLSFHGNSUGE-ZFWHFRFUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Asterias amurensis | Asterias | Asteriidae | Forcipulatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 756.1189999999993
TPSA？: 172.43
MolLogP？: 8.144600000000013
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|