None
AlkaPlorer ID: AK590134
Synonym: None
IUPAC Name: 5,15,32,65-tetrachloro-64-[4,5-dihydroxy-3-(hydroxymethyl)-6-[(1-hydroxy-9-methyldecylidene)amino]oxan-2-yl]oxy-2,18,21,26,31,35,38,44,49,54,56,59-dodecahydroxy-22-(methylamino)-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid
Structure
SMILES: CNC1C(O)=NC2C(O)=NC(C(O)=NC3C(O)=NC4C(O)=NC(C(O)=NC(C(=O)O)C5=CC(O)=CC(OC6OC(CO)C(O)C(O)C6O)=C5C5=CC4=CC=C5O)C(O)C4=CC(Cl)=C(OC5=C(OC6OC(N=C(O)CCCCCCCC(C)C)C(O)C(O)C6CO)C(=CC3=C5)OC3=CC=C(C=C3Cl)C2O)C(Cl)=C4)C2=CC(=CC(O)=C2Cl)OC2=CC1=CC=C2O
InChI: InChI=1S/C82H86Cl4N8O29/c1-30(2)9-7-5-4-6-8-10-54(101)88-79-69(107)66(104)41(28-95)81(123-79)122-72-51-22-34-23-52(72)119-71-43(84)19-35(20-44(71)85)65(103)63-78(114)92-61(80(115)116)39-24-36(97)25-50(120-82-70(108)68(106)67(105)53(29-96)121-82)55(39)38-17-31(11-14-45(38)98)58(74(110)94-63)89-75(111)59(34)90-76(112)60-40-26-37(27-47(100)56(40)86)117-49-21-32(12-15-46(49)99)57(87-3)73(109)93-62(77(113)91-60)64(102)33-13-16-48(118-51)42(83)18-33/h11-27,30,41,53,57-70,79,81-82,87,95-100,102-108H,4-10,28-29H2,1-3H3,(H,88,101)(H,89,111)(H,90,112)(H,91,113)(H,92,114)(H,93,109)(H,94,110)(H,115,116)
InChIKey: ZEWPEKFPIQQXCA-UHFFFAOYSA-N
Reference
Kibdelins (AAD-609), novel glycopeptide antibiotics. II Isolation, purification and structure.
PubChem CID: 16131401
CAS: 103528-49-0
LOTUS: LTS0007268
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kibdelosporangium aridum | Kibdelosporangium | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1789.4290000000003
TPSA？: 605.0600000000003
MolLogP？: 10.587199999999992
Number of H-Donors: 22
Number of H-Acceptors: 29
RingCount: 15
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|