Aurantoside A; O-De-Me
AlkaPlorer ID: AK289733
Synonym: Aurantoside B
IUPAC Name: None
Structure
SMILES: C/C(Cl)=C/C(Cl)=C/C=C/C=C/C=C/C=C/C(O)=C1/C(=O)C(CC(N)=O)N(C2OCC(O)C(O)C2OC2OCC(OC3OC(C)C(O)C3O)C(O)C2O)C1=O
InChI: InChI=1S/C35H44Cl2N2O15/c1-16(36)12-18(37)10-8-6-4-3-5-7-9-11-20(40)24-26(44)19(13-23(38)42)39(32(24)49)33-31(27(45)21(41)14-50-33)54-34-30(48)28(46)22(15-51-34)53-35-29(47)25(43)17(2)52-35/h3-12,17,19,21-22,25,27-31,33-35,40-41,43,45-48H,13-15H2,1-2H3,(H2,38,42)/b4-3+,7-5+,8-6+,11-9+,16-12-,18-10-,24-20+
InChIKey: YZIOORMSEXDTKB-MSAYDVDQSA-N
Reference
CAS: 137895-71-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella sp. | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 803.6420000000006
TPSA？: 268.2299999999999
MolLogP？: -0.6628999999999969
Number of H-Donors: 8
Number of H-Acceptors: 15
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|