Deltamycin A3
AlkaPlorer ID: AK025444
Synonym: None
IUPAC Name: [(2R,3R,4R,6S)-6-[(2S,3R,4S,5S,6R)-6-[[(1R,3R,7R,8S,9R,10R,12S,14Z,16S)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate
Structure
SMILES: CCCC(=O)O[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](N(C)C)[C@H](O)[C@@H](O[C@@H]3[C@@H](CC=O)C[C@H](C)C(=O)/C=C\[C@@H]4O[C@@H]4C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@@H]3OC)O[C@H]2C)C[C@@]1(C)O
InChI: InChI=1S/C41H65NO16/c1-11-12-31(46)56-39-24(5)52-33(20-41(39,7)49)57-36-23(4)53-40(35(48)34(36)42(8)9)58-37-26(15-16-43)17-21(2)27(45)13-14-28-29(55-28)18-22(3)51-32(47)19-30(38(37)50-10)54-25(6)44/h13-14,16,21-24,26,28-30,33-40,48-49H,11-12,15,17-20H2,1-10H3/b14-13-/t21-,22+,23-,24+,26-,28-,29+,30+,33-,34-,35-,36-,37+,38-,39+,40+,41+/m0/s1
InChIKey: UHJLHWLKXDXMHZ-UIGQCCNPSA-N
Reference
Deltamycins, new macrolide antibiotics. III. Chemical structures.
PubChem CID: 139589119
LOTUS: LTS0081391
{NPAtlas: NPA021072
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces halstedii | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 827.962
TPSA？: 215.42
MolLogP？: 2.1868000000000065
Number of H-Donors: 2
Number of H-Acceptors: 17
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|