Aureobasidin S4
AlkaPlorer ID: AK115142
Synonym: None
IUPAC Name: (3R,6S,9R,12R,15S,18S,21S,24S,27R)-3,6-dibenzyl-24-[(2R)-butan-2-yl]-12-[(2S,3R)-3-hydroxybutan-2-yl]-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18-(2-methylpropyl)-9,21-di(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)[C@@H](C)O)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)N=C(O)[C@H](C(C)C)N(C)C1=O
InChI: InChI=1S/C60H92N8O12/c1-17-37(8)46-57(76)65(14)47(35(4)5)52(71)61-42(31-34(2)3)55(74)67(16)50(60(11,12)79)59(78)80-49(38(9)39(10)69)58(77)66(15)48(36(6)7)53(72)62-43(32-40-25-20-18-21-26-40)54(73)64(13)45(33-41-27-22-19-23-28-41)56(75)68-30-24-29-44(68)51(70)63-46/h18-23,25-28,34-39,42-50,69,79H,17,24,29-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t37-,38+,39-,42+,43+,44-,45-,46+,47+,48-,49-,50-/m1/s1
InChIKey: AUIRGWHYLWLLAZ-ULKGMILMSA-N
Reference
Isolation, structures, and antifungal activities of new aureobasidins.
PubChem CID: 139588888
LOTUS: LTS0093728
{NPAtlas: NPA020602
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aureobasidium pullulans | Aureobasidium | Saccotheciaceae | Dothideales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1117.4399999999994
TPSA？: 266.08
MolLogP？: 5.863500000000013
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|