WF11899A
AlkaPlorer ID: AK326025
Synonym: None
IUPAC Name: [5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate
Structure
SMILES: CCCCCCCCCCCCCCCC(O)=NC1CC(O)C(O)N=C(O)C2C(O)C(C)CN2C(=O)C(C(O)CC(=N)O)N=C(O)C(C(O)C(O)C2=CC=C(O)C(OS(=O)(=O)O)=C2)N=C(O)C2CC(O)CN2C(=O)C(C(C)O)N=C1O
InChI: InChI=1S/C51H82N8O21S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37(66)53-30-22-34(64)47(72)57-49(74)41-42(67)26(2)24-59(41)51(76)39(33(63)23-36(52)65)55-48(73)40(44(69)43(68)28-18-19-32(62)35(20-28)80-81(77,78)79)56-46(71)31-21-29(61)25-58(31)50(75)38(27(3)60)54-45(30)70/h18-20,26-27,29-31,33-34,38-44,47,60-64,67-69,72H,4-17,21-25H2,1-3H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)(H,77,78,79)
InChIKey: KAPLTEIQCKDUAT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Coleophoma empetri | Coleophoma | Dermateaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1175.3190000000006
TPSA？: 493.3200000000001
MolLogP？: 1.6259700000000088
Number of H-Donors: 17
Number of H-Acceptors: 20
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|