Paulomycin C
AlkaPlorer ID: AK039780
Synonym: ''
IUPAC Name: (3R)-3-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3-hydroxy-4-[(2S,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-propanoyloxyethyl]oxan-2-yl]oxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
Structure
SMILES: C/C=C(/N=C=S)C(=O)O[C@@H]1[C@@H](O[C@@H]2C[C@H](OC)[C@@](O)([C@H](C)OC(=O)CC)[C@@H](C)O2)[C@@H](O)[C@H]([C@]2(O)CC(=O)C(N)=C(C(=O)O)C2=O)O[C@@H]1COC(C)=O
InChI: InChI=1S/C32H42N2O17S/c1-7-16(34-12-52)30(42)51-25-18(11-46-15(5)35)49-28(31(43)10-17(36)23(33)22(27(31)39)29(40)41)24(38)26(25)50-21-9-19(45-6)32(44,14(4)48-21)13(3)47-20(37)8-2/h7,13-14,18-19,21,24-26,28,38,43-44H,8-11,33H2,1-6H3,(H,40,41)/b16-7+/t13-,14+,18+,19-,21+,24+,25-,26-,28+,31-,32+/m0/s1
InChIKey: IAEYVQOVYXLKLD-RHCDNDFZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces paulus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 758.7520000000001
TPSA？: 286.33
MolLogP？: -1.225499999999991
Number of H-Donors: 5
Number of H-Acceptors: 19
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|