Aureobasidin S2b
AlkaPlorer ID: AK110988
Synonym: None
IUPAC Name: (3R,6R,9S,12R,15R,18S,21R,24S,27S)-3,6-dibenzyl-24-[(2S)-butan-2-yl]-12-[(2S)-4-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)CCO)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/c1-16-38(8)46-57(76)65(13)47(36(4)5)52(71)61-42(32-35(2)3)55(74)67(15)50(60(10,11)79)59(78)80-49(39(9)29-31-69)58(77)66(14)48(37(6)7)53(72)62-43(33-40-24-19-17-20-25-40)54(73)64(12)45(34-41-26-21-18-22-27-41)56(75)68-30-23-28-44(68)51(70)63-46/h17-22,24-27,35-39,42-50,69,79H,16,23,28-34H2,1-15H3,(H,61,71)(H,62,72)(H,63,70)/t38-,39-,42-,43+,44-,45+,46-,47+,48-,49+,50-/m0/s1
InChIKey: SJMVYAHBOJDUII-VOHMGLQJSA-N
Reference
Isolation, structures, and antifungal activities of new aureobasidins.
PubChem CID: 139588890
LOTUS: LTS0198190
{NPAtlas: NPA020604
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？: 5.865100000000012
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|