Totopotensamide B; 5'-O-Sulfate, 11''-O-(4-O-methyl-β-D-glucopyranoside)
AlkaPlorer ID: AK316187
Synonym: Totopotensamide C
IUPAC Name: [5-[5-butan-2-yl-12-[2-[[2-[[11-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-9,12-dihydroxy-4,6,8,10-tetramethyl-3-oxotridecanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]-11-methyl-3,6,9,13-tetraoxo-1,4,7,10-tetrazacyclotridec-2-yl]-4-chloro-3-hydroxy-2-methylphenyl] hydrogen sulfate
Structure
SMILES: CCC(C)C1NC(=O)C(C2=CC(OS(=O)(=O)O)=C(C)C(O)=C2Cl)NC(=O)C(NC(=O)C(C)NC(=O)C(NC(=O)CC(=O)C(C)CC(C)CC(C)C(O)C(C)C(OC2OC(CO)C(OC)C(O)C2O)C(C)O)C(C)O)C(C)NC(=O)CNC1=O
InChI: InChI=1S/C52H84ClN7O22S/c1-13-21(3)37-48(72)54-18-35(66)55-26(8)38(49(73)60-40(51(75)58-37)30-16-32(82-83(76,77)78)24(6)42(68)36(30)53)59-47(71)27(9)56-50(74)39(28(10)62)57-34(65)17-31(64)22(4)14-20(2)15-23(5)41(67)25(7)45(29(11)63)81-52-44(70)43(69)46(79-12)33(19-61)80-52/h16,20-23,25-29,33,37-41,43-46,52,61-63,67-70H,13-15,17-19H2,1-12H3,(H,54,72)(H,55,66)(H,56,74)(H,57,65)(H,58,75)(H,59,71)(H,60,73)(H,76,77,78)
InChIKey: SLDMXMFVHHHMOO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces pactum | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1226.7910000000002
TPSA？: 453.6700000000001
MolLogP？: -2.421879999999996
Number of H-Donors: 15
Number of H-Acceptors: 21
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|