Avrainvilloside
AlkaPlorer ID: AK006526
Synonym: None
IUPAC Name: [(2S)-3-[(2S,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-octadecanoyloxypropyl] octadecanoate
Structure
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC
InChI: InChI=1S/C45H87NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-45,49-51H,3-37,46H2,1-2H3/t38-,39-,42-,43+,44-,45+/m1/s1
InChIKey: KJILUUUMZVFMFK-QOSRUJHKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Avrainvillea nigricans | Avrainvillea | Dichotomosiphonaceae | Bryopsidales | Ulvophyceae | Chlorophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 786.188999999999
TPSA？: 157.76999999999998
MolLogP？: 9.7473
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | WEHI-164 | IC50 | 10.0 | ug.mL-1 | 10.1021/np050161m |