Pullularin B
AlkaPlorer ID: AK048566
Synonym: None
IUPAC Name: (3R,6S,9S,12S,15S,18S)-3-benzyl-12-[(2S)-butan-2-yl]-6-ethyl-15-(hydroxymethyl)-7,13-dimethyl-9-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-4-oxa-1,7,10,13,16-pentazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Structure
SMILES: CC[C@H](C)[C@H]1C(O)=N[C@@H](CC2=CC=C(OCC=C(C)C)C=C2)C(=O)N(C)[C@@H](CC)C(=O)O[C@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(O)=N[C@@H](CO)C(=O)N1C
InChI: InChI=1S/C43H59N5O9/c1-8-28(5)37-39(51)44-32(24-30-17-19-31(20-18-30)56-23-21-27(3)4)40(52)46(6)34(9-2)43(55)57-36(25-29-14-11-10-12-15-29)42(54)48-22-13-16-35(48)38(50)45-33(26-49)41(53)47(37)7/h10-12,14-15,17-21,28,32-37,49H,8-9,13,16,22-26H2,1-7H3,(H,44,51)(H,45,50)/t28-,32-,33-,34-,35-,36+,37-/m0/s1
InChIKey: YIBBWWLNPZDEBJ-MASFKXNCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Dothioraceae | Dothideales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 789.971
TPSA？: 181.87000000000003
MolLogP？: 4.485800000000006
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|