Deltamycin A2
AlkaPlorer ID: AK025425
Synonym: None
IUPAC Name: [(2S,3S,4R,6R)-6-[(2R,3S,4S,5S,6R)-6-[[(1S,3S,7S,8R,9R,10S,12R,14E,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] propanoate
Structure
SMILES: CCC(=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/C40H63NO16/c1-11-30(45)55-38-23(5)51-32(19-40(38,7)48)56-35-22(4)52-39(34(47)33(35)41(8)9)57-36-25(14-15-42)16-20(2)26(44)12-13-27-28(54-27)17-21(3)50-31(46)18-29(37(36)49-10)53-24(6)43/h12-13,15,20-23,25,27-29,32-39,47-48H,11,14,16-19H2,1-10H3/b13-12+/t20-,21+,22-,23+,25-,27+,28+,29+,32-,33+,34+,35-,36-,37-,38+,39-,40-/m1/s1
InChIKey: FXALCAYPJGPQOF-CZCCRFTESA-N
Reference
Deltamycins, new macrolide antibiotics. III. Chemical structures.
PubChem CID: 139589120
LOTUS: LTS0180219
{NPAtlas: NPA021073
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces halstedii | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 813.9350000000002
TPSA？: 215.42
MolLogP？: 1.7967000000000066
Number of H-Donors: 2
Number of H-Acceptors: 17
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|