(1S,3R,5S,6S,11S,12S,21S,23R,24S,25R)-21-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-12-ethyl-1,3,5,6,25-pentahydroxy-11-methyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylic acid
AlkaPlorer ID: AK597832
Synonym: None
IUPAC Name: (7E,13E,15E,17E,19E)-21-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-12-ethyl-1,3,5,6,25-pentahydroxy-11-methyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylic acid
Structure
SMILES: CCC1/C=C/C=C/C=C/C=C/C(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)/C=C/C(=O)OC1C)CC(O)C2C(=O)O
InChI: InChI=1S/C35H53NO14/c1-4-21-11-9-7-5-6-8-10-12-23(49-34-32(43)30(36)31(42)20(3)48-34)16-27-29(33(44)45)26(40)18-35(46,50-27)17-22(37)15-25(39)24(38)13-14-28(41)47-19(21)2/h5-14,19-27,29-32,34,37-40,42-43,46H,4,15-18,36H2,1-3H3,(H,44,45)/b7-5+,8-6+,11-9+,12-10+,14-13+
InChIKey: ZWRUZDWTNUEYFO-IPPUEFGVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces ahygroscopicus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 711.8020000000004
TPSA？: 258.92
MolLogP？: -0.2897999999999956
Number of H-Donors: 9
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|