Deltamycin A1
AlkaPlorer ID: AK024893
Synonym: None
IUPAC Name: [(1R,3R,7S,8R,9S,10R,12R,14E,16S)-9-[(2S,3S,4R,5S,6R)-5-[(2S,4S,5R,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] acetate
Structure
SMILES: CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@](C)(O)[C@H](OC(C)=O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@@H]2O[C@@H]2C[C@@H](C)OC(=O)C[C@@H]1OC(C)=O
InChI: InChI=1S/C39H61NO16/c1-19-15-25(13-14-41)35(36(48-10)29(52-23(5)42)17-30(45)49-20(2)16-28-27(54-28)12-11-26(19)44)56-38-33(46)32(40(8)9)34(21(3)51-38)55-31-18-39(7,47)37(22(4)50-31)53-24(6)43/h11-12,14,19-22,25,27-29,31-38,46-47H,13,15-18H2,1-10H3/b12-11+/t19-,20-,21-,22+,25+,27+,28-,29+,31+,32-,33+,34-,35+,36-,37-,38+,39+/m1/s1
InChIKey: BSLHJKFVBDZBEO-UQHFAGRNSA-N
Reference
Deltamycins, new macrolide antibiotics. III. Chemical structures.
PubChem CID: 139589121
LOTUS: LTS0029652
{NPAtlas: NPA021074
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces halstedii | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 799.9080000000001
TPSA？: 215.42
MolLogP？: 1.4066000000000098
Number of H-Donors: 2
Number of H-Acceptors: 17
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|