Aureobasidin T2
AlkaPlorer ID: AK098959
Synonym: None
IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,27S)-3,6-dibenzyl-12,24-bis[(2R)-butan-2-yl]-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18,21-bis(2-methylpropyl)-9-propan-2-yl-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone
Structure
SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N(C)C1=O
InChI: InChI=1S/C61H94N8O11/c1-17-39(9)48-58(76)65(13)46(33-37(5)6)53(71)62-43(32-36(3)4)56(74)68(16)51(61(11,12)79)60(78)80-50(40(10)18-2)59(77)67(15)49(38(7)8)54(72)63-44(34-41-26-21-19-22-27-41)55(73)66(14)47(35-42-28-23-20-24-29-42)57(75)69-31-25-30-45(69)52(70)64-48/h19-24,26-29,36-40,43-51,79H,17-18,25,30-35H2,1-16H3,(H,62,71)(H,63,72)(H,64,70)/t39-,40-,43+,44+,45+,46+,47+,48+,49+,50-,51-/m1/s1
InChIKey: FJECLCXYPCUACP-ANXDLXJGSA-N
Reference
Structures and Antifungal Activities of New Aureobasidins.
PubChem CID: 10260650
LOTUS: LTS0024739
{NPAtlas: NPA014690
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aureobasidium pullulans | Aureobasidium | Saccotheciaceae | Dothideales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1115.4679999999992
TPSA？: 245.85
MolLogP？: 7.282800000000012
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|