Aculeacin A
AlkaPlorer ID: AK031440
Synonym: None
IUPAC Name: N-[(3S,6R,9S,11S,15R,18R,20R,21S,24R,25R,26R)-6-[(1S,2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]hexadecanamide
Structure
SMILES: CCCCCCCCCCCCCCCC(O)=N[C@@H]1C[C@@H](O)[C@H](O)N=C(O)[C@H]2[C@H](O)[C@H](C)CN2C(=O)[C@H]([C@@H](C)O)N=C(O)[C@@H]([C@H](O)[C@H](O)C2=CC=C(O)C=C2)N=C(O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H]([C@@H](C)O)N=C1O
InChI: InChI=1S/C50H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36(63)51-33-24-35(62)46(69)55-48(71)40-41(64)27(2)25-57(40)50(73)38(29(4)59)53-47(70)39(43(66)42(65)30-19-21-31(60)22-20-30)54-45(68)34-23-32(61)26-56(34)49(72)37(28(3)58)52-44(33)67/h19-22,27-29,32-35,37-43,46,58-62,64-66,69H,5-18,23-26H2,1-4H3,(H,51,63)(H,52,67)(H,53,70)(H,54,68)(H,55,71)/t27-,28-,29-,32+,33-,34+,35-,37-,38+,39-,40-,41-,42-,43+,46+/m1/s1
InChIKey: YKPHLXGEPNYRPY-ZSOOBDFRSA-N
Reference
Studies on aculeacin. I. Isolation and characterization of aculeacin A.
PubChem CID: 139589159
LOTUS: LTS0010060
{NPAtlas: NPA021131
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus aculeatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1036.2310000000002
TPSA？: 385.64
MolLogP？: 2.5389000000000066
Number of H-Donors: 14
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|