Aureobasidin S2a
AlkaPlorer ID: AK127222
Synonym: None
IUPAC Name: (3S,6R,9S,12S,15S,18R,21R,24S,27S)-6-benzyl-12,24-bis[(2S)-butan-2-yl]-3-[(4-hydroxyphenyl)methyl]-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=C(O)C=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](C(C)C)N(C)C1=O
InChI: InChI=1S/C60H92N8O12/c1-17-37(9)46-57(76)65(14)47(35(5)6)52(71)61-42(31-34(3)4)55(74)67(16)50(60(11,12)79)59(78)80-49(38(10)18-2)58(77)66(15)48(36(7)8)53(72)62-43(32-39-23-20-19-21-24-39)54(73)64(13)45(33-40-26-28-41(69)29-27-40)56(75)68-30-22-25-44(68)51(70)63-46/h19-21,23-24,26-29,34-38,42-50,69,79H,17-18,22,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t37-,38-,42+,43+,44-,45-,46-,47+,48-,49-,50+/m0/s1
InChIKey: AZWNOPVZWSHWAA-URQULGPXSA-N
Reference
Isolation, structures, and antifungal activities of new aureobasidins.
PubChem CID: 139588891
LOTUS: LTS0017296
{NPAtlas: NPA020605
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？: 6.598300000000012
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|