Pneumocandin A0; 5-Demethyl, 5-hydroxy
AlkaPlorer ID: AK310791
Synonym: Pneumocandin D0
IUPAC Name: None
Structure
SMILES: CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2CC(O)C(O)N2C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)C(O)C2=CC=C(O)C=C2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O
InChI: InChI=1S/C50H80N8O18/c1-5-24(2)18-25(3)12-10-8-6-7-9-11-13-37(66)52-30-20-34(63)46(72)56-45(71)32-21-35(64)48(74)58(32)50(76)39(33(62)22-36(51)65)54-47(73)40(42(68)41(67)27-14-16-28(60)17-15-27)55-44(70)31-19-29(61)23-57(31)49(75)38(26(4)59)53-43(30)69/h14-17,24-26,29-35,38-42,46,48,59-64,67-68,72,74H,5-13,18-23H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,73)(H,55,70)(H,56,71)
InChIKey: LEWNTGPYQCNTMG-UHFFFAOYSA-N
Reference
CAS: 157536-07-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Glarea lozoyensis | Glarea | Helotiaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1081.228
TPSA？: 431.51
MolLogP？: -4.022899999999996
Number of H-Donors: 16
Number of H-Acceptors: 18
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|