Burkholdine 1097; 4''-Deoxo, 3'-deoxy, 7-O-α-D-xylopyranoside
AlkaPlorer ID: AK291175
Synonym: Burkholdine 1119, Bk 1119
IUPAC Name: 2-[15-(2-aminoethyl)-3-(2-amino-2-oxoethyl)-25-[2,3-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxypentadecyl]-18-[hydroxy-(4-hydroxyphenyl)methyl]-6,21-bis(hydroxymethyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]acetamide
Structure
SMILES: CCCCCCCCCCCC(OC1OCC(O)C(O)C1O)C(O)C(O)CC1CC(O)=NC(CO)C(O)=NC(C(O)C2=CC=C(O)C=C2)C(O)=NC(CCN)C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(CO)C(O)=NC(CC(=N)O)C(O)=N1
InChI: InChI=1S/C52H85N11O21/c1-2-3-4-5-6-7-8-9-10-11-36(84-52-45(76)44(75)35(68)25-83-52)43(74)34(67)18-27-19-39(71)59-32(23-64)50(81)63-41(42(73)26-12-14-28(66)15-13-26)51(82)60-29(16-17-53)46(77)56-22-40(72)58-30(20-37(54)69)48(79)62-33(24-65)49(80)61-31(21-38(55)70)47(78)57-27/h12-15,27,29-36,41-45,52,64-68,73-76H,2-11,16-25,53H2,1H3,(H2,54,69)(H2,55,70)(H,56,77)(H,57,78)(H,58,72)(H,59,71)(H,60,82)(H,61,80)(H,62,79)(H,63,81)
InChIKey: PCAQFZPDERWHAA-UHFFFAOYSA-N
Reference
Burkholdines from <i>Burkholderia ambifaria</i>: Antifungal Agents and Possible Virulence Factors
PubChem CID: 77985117
LOTUS: LTS0049643
COCONUT: CNP0352860.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Burkholderia ambifaria | Burkholderia | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1200.3080000000004
TPSA？: 575.4300000000002
MolLogP？: 1.1026400000000178
Number of H-Donors: 22
Number of H-Acceptors: 22
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|