Gracilarioside
AlkaPlorer ID: AK012369
Synonym: None
IUPAC Name: (2R)-N-[(E,2S,3S,4R)-11-(2-butylcyclopropyl)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyundec-6-en-2-yl]-2-hydroxypentacosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)C/C=C/CCCCC1CC1CCCC
InChI: InChI=1S/C49H93NO10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-34-42(53)48(58)50-40(37-59-49-47(57)46(56)45(55)43(36-51)60-49)44(54)41(52)33-29-27-24-25-28-32-39-35-38(39)31-6-4-2/h27,29,38-47,49,51-57H,3-26,28,30-37H2,1-2H3,(H,50,58)/b29-27+/t38?,39?,40-,41+,42+,43+,44-,45+,46-,47+,49+/m0/s1
InChIKey: TVQMRUDVRPMEND-USRZVJDVSA-N
Reference
Gracilarioside and Gracilamides from the Red Alga <i>Gracilaria </i><i>asiatica</i>
PubChem CID: 16059815
LOTUS: LTS0177380
NPASS: NPC477198
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gracilaria asiatica | Gracilaria | Gracilariaceae | Gracilariales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 856.28
TPSA？: 189.17
MolLogP？: 8.305500000000013
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | Activity | 18.2 | % | 10.1021/np060043e |