Aureobasidin S3
AlkaPlorer ID: AK125213
Synonym: None
IUPAC Name: (3S,6R,9R,12S,15R,18S,21S,24R,27S)-3,6-dibenzyl-24-[(2S)-butan-2-yl]-12-[(2S)-1-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](CO)[C@@H]1OC(=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)C(=O)[C@@H]([C@@H](C)CC)N=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)C1=O
InChI: InChI=1S/C60H92N8O12/c1-16-38(9)46-57(76)65(13)47(36(5)6)52(71)61-42(31-35(3)4)55(74)67(15)50(60(10,11)79)59(78)80-49(41(17-2)34-69)58(77)66(14)48(37(7)8)53(72)62-43(32-39-25-20-18-21-26-39)54(73)64(12)45(33-40-27-22-19-23-28-40)56(75)68-30-24-29-44(68)51(70)63-46/h18-23,25-28,35-38,41-50,69,79H,16-17,24,29-34H2,1-15H3,(H,61,71)(H,62,72)(H,63,70)/t38-,41-,42-,43+,44-,45-,46+,47-,48+,49-,50-/m0/s1
InChIKey: CSEWOAIMQFNFGS-OJCYYUEMSA-N
Reference
Isolation, structures, and antifungal activities of new aureobasidins.
PubChem CID: 139588889
LOTUS: LTS0111621
{NPAtlas: NPA020603
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？: 5.865100000000019
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|