Destruxins; Destruxin B, 4'-β-D-Glucopyranosyloxy
AlkaPlorer ID: AK294946
Synonym: β-D-Glucosyloxydestruxin B
IUPAC Name: 16-butan-2-yl-10,11,14-trimethyl-3-[2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Structure
SMILES: CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)(C)OC2OC(CO)C(O)C(O)C2O)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O
InChI: InChI=1S/C36H61N5O13/c1-10-19(4)25-33(50)40(9)26(18(2)3)34(51)39(8)20(5)30(47)37-14-13-24(43)52-22(32(49)41-15-11-12-21(41)31(48)38-25)16-36(6,7)54-35-29(46)28(45)27(44)23(17-42)53-35/h18-23,25-29,35,42,44-46H,10-17H2,1-9H3,(H,37,47)(H,38,48)
InChIKey: XPPQPHQJYKEZRT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alternaria brassicae | Alternaria | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 771.9059999999997
TPSA？: 244.81
MolLogP？: -1.7448999999999832
Number of H-Donors: 6
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|