U-43,120
AlkaPlorer ID: AK039083
Synonym: None
IUPAC Name: 3-[(3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-[(Z)-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@@H](O)[C@@H](C)O2)[C@@H](O)C(C2(O)CC(=O)C(N)=C(C(=O)O)C2=O)O[C@@H]1COC(C)=O
InChI: InChI=1S/C27H34N2O15S/c1-5-12(29-9-45)26(37)44-21-15(8-40-11(3)30)42-24(27(38)7-13(31)18(28)17(23(27)34)25(35)36)20(33)22(21)43-16-6-14(39-4)19(32)10(2)41-16/h5,10,14-16,19-22,24,32-33,38H,6-8,28H2,1-4H3,(H,35,36)/b12-5-/t10-,14-,15-,16-,19+,20-,21-,22+,24?,27?/m1/s1
InChIKey: HYYDZRXDSYTIEH-MQTRCCAJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces paulus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 658.6350000000002
TPSA？: 260.03
MolLogP？: -1.937399999999993
Number of H-Donors: 5
Number of H-Acceptors: 17
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|