Aurantoside C
AlkaPlorer ID: AK013823
Synonym: None
IUPAC Name: 2-[(2S,4Z)-4-[(2E,4E,6E,8E,10Z,12E,14Z)-11,15-dichloro-1-hydroxyhexadeca-2,4,6,8,10,12,14-heptaenylidene]-1-[(2R,3R,4S,5R)-3-[(2S,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]-3,5-dioxopyrrolidin-2-yl]acetamide
Structure
SMILES: C/C(Cl)=C/C=C/C(Cl)=C/C=C/C=C/C=C/C=C/C(O)=C1\C(=O)[C@H](CC(N)=O)N([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@@H]3O)[C@@H]2O)C1=O
InChI: InChI=1S/C37H46Cl2N2O15/c1-18(38)11-10-13-20(39)12-8-6-4-3-5-7-9-14-22(43)26-28(47)21(15-25(40)45)41(34(26)51)35-33(29(48)23(44)17-52-35)56-37-31(50)32(24(16-42)54-37)55-36-30(49)27(46)19(2)53-36/h3-14,19,21,23-24,27,29-33,35-37,42-44,46,48-50H,15-17H2,1-2H3,(H2,40,45)/b4-3+,7-5+,8-6+,13-10+,14-9+,18-11-,20-12-,26-22-/t19-,21+,23-,24-,27-,29+,30+,31+,32-,33-,35-,36+,37+/m1/s1
InChIKey: DDBJBGSDUISYNN-JHCQUCJBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Homophymia | Neopeltidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 829.6800000000006
TPSA？: 268.2299999999999
MolLogP？: -0.1066999999999969
Number of H-Donors: 8
Number of H-Acceptors: 15
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia | Artemia | LC50 | 50.0 | ug.mL-1 | 10.1021/np980283x |