Esperamicin; Esperamicin A1c
AlkaPlorer ID: AK297939
Synonym: FR 900406, WS 6049B, Antibiotic FR 900406, Antibiotic WS 26049B
IUPAC Name: [3-hydroxy-6-[[9-hydroxy-2-[4-hydroxy-5-[(4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl)oxyamino]-3-[4-methoxy-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-4-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate
Structure
SMILES: C=C(OC)C(=O)NC1=CC(OC)=C(OC)C=C1C(=O)OC1CC(OC2C(=O)C(NC(=O)OC)=C3C(=CCSSSC)C2(O)C#CC=CC#CC3OC2OC(C)C(NOC3CC(O)C(SC)C(C)O3)C(O)C2OC2CC(OC)C(NC)CO2)OC(C)C1O
InChI: InChI=1S/C57H76N4O22S4/c1-27-45(61-83-43-23-35(62)51(84-11)29(3)77-43)48(64)50(81-41-24-37(71-7)34(58-5)26-75-41)55(78-27)80-36-17-15-13-14-16-19-57(69)32(18-20-86-87-85-12)44(36)46(60-56(68)74-10)49(65)52(57)82-42-25-40(47(63)28(2)76-42)79-54(67)31-21-38(72-8)39(73-9)22-33(31)59-53(66)30(4)70-6/h13-14,18,21-22,27-29,34-37,40-43,45,47-48,50-52,55,58,61-64,69H,4,20,23-26H2,1-3,5-12H3,(H,59,66)(H,60,68)
InChIKey: KUWYWVUNFKWNCB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
| Actinomadura verrucosospora | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1297.5090000000002
TPSA？: 326.54
MolLogP？: 2.637800000000008
Number of H-Donors: 8
Number of H-Acceptors: 28
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|