Diastovaricin II
AlkaPlorer ID: AK006837
Synonym: None
IUPAC Name: 2-acetamido-3-[[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]sulfanyl]propanoic acid
Structure
SMILES: CC(O)=NC(CSC1=C2N=C(O)/C=C\C=C\C=C/[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)C3=C(O)C(C)=CC(=C3C1=O)C2=O)C(=O)O
InChI: InChI=1S/C44H52N2O12S/c1-22-12-10-8-9-11-13-34(51)46-37-41(55)30-19-27(6)40(54)36(35(30)42(56)43(37)59-21-31(44(57)58)45-28(7)47)39(53)26(5)18-25(4)38(52)24(3)15-17-29(48)16-14-23(2)33(50)20-32(22)49/h8-15,17-19,22,24-25,29,31-32,38,48-49,52,54H,16,20-21H2,1-7H3,(H,45,47)(H,46,51)(H,57,58)/b9-8+,12-10-,13-11-,17-15+,23-14+,26-18+/t22-,24-,25-,29-,31?,32-,38-/m0/s1
InChIKey: VEDOKYSBCNXSGP-CGNLVAFYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces diastatochromogenes | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 832.9690000000002
TPSA？: 251.68
MolLogP？: 6.064520000000008
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|