Esperamicin; Esperamicin A1
AlkaPlorer ID: AK297936
Synonym: BMY 28175, Antibiotic BMY 28175
IUPAC Name: [3-hydroxy-6-[[9-hydroxy-2-[4-hydroxy-5-[(4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl)oxyamino]-3-[4-methoxy-5-(propan-2-ylamino)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(N=C(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(C)C)CO2)OC(C)C1O
InChI: InChI=1S/C59H80N4O22S4/c1-28(2)60-36-27-77-43(25-39(36)73-8)83-52-50(66)47(63-85-45-24-37(64)53(86-12)31(5)79-45)29(3)80-57(52)82-38-18-16-14-15-17-20-59(71)34(19-21-88-89-87-13)46(38)48(62-58(70)76-11)51(67)54(59)84-44-26-42(49(65)30(4)78-44)81-56(69)33-22-40(74-9)41(75-10)23-35(33)61-55(68)32(6)72-7/h14-15,19,22-23,28-31,36-39,42-45,47,49-50,52-54,57,60,63-66,71H,6,21,24-27H2,1-5,7-13H3,(H,61,68)(H,62,70)
InChIKey: LJQQFQHBKUKHIS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura verrucosospora | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1325.563
TPSA？: 333.52
MolLogP？: 4.270300000000008
Number of H-Donors: 8
Number of H-Acceptors: 28
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|