Supprescin B
AlkaPlorer ID: AK084577
Synonym: None
IUPAC Name: 4-[[2-[[2-[[2-[[3-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-5-[(1-carboxy-2-hydroxypropyl)amino]-5-oxopentanoic acid
Structure
SMILES: CC(=O)NC1C(OCC(N)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)O)C(C)O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI: InChI=1S/C35H57N7O24/c1-11(46)22(33(61)62)42-31(59)14(3-4-20(49)50)40-32(60)15(5-21(51)52)39-19(48)6-37-30(58)16(7-43)41-29(57)13(36)10-63-34-23(38-12(2)47)25(54)28(18(9-45)65-34)66-35-27(56)26(55)24(53)17(8-44)64-35/h11,13-18,22-28,34-35,43-46,53-56H,3-10,36H2,1-2H3,(H,37,58)(H,38,47)(H,39,48)(H,40,60)(H,41,57)(H,42,59)(H,49,50)(H,51,52)(H,61,62)
InChIKey: QJRLPUFONOWLOX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Mycosphaerella | Mycosphaerellaceae | Mycosphaerellales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 959.8660000000008
TPSA？: 511.28000000000014
MolLogP？: -11.049200000000024
Number of H-Donors: 18
Number of H-Acceptors: 22
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|