Everninomycin

HCID 443597

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 53024-98-9
Standard SMILES: COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@@]4(OC[C@@H](OC(=O)c5c(C)cc(O)cc5O)[C@@H]5OCO[C@H]54)O[C@H]3[C@H]2O)C(OC)[C@@H](O)C1O[C@@H]1O[C@H](C)[C@H](OC)[C@@H](O[C@@H]2O[C@H](C)[C@H]3OC4(C[C@@H](O)[C@H](O[C@H]5C[C@@H](O[C@@H]6C[C@](C)([N+](=O)[O-])[C@@H](OC)[C@H](C)O6)[C@H](OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)[C@@H](C)O5)[C@@H](C)O4)O[C@]3(C)[C@@H]2O)[C@H]1O
InChIKey: UPADRKHAIMTUCC-JBNGTWNESA-N
Molecular formula: C70H97Cl2NO38
Average molar mass: 1,631.4 g/mol
Monoisotopic mass: 1,629.506563

Overview

Everninomycin is an amino oligosaccharide.

Names & identifiers

Preferred name: Everninomycin
IUPAC: [(2R,3R,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2S,3R,4S,5S,6R)-2-[(2R,4S,6S)-6-[(3aR,3'aS,4R,6'S,7R,7'R,7aS,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2R,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
English name: everninomycins
Molecular formula: C70H97Cl2NO38
Molecular weight: 1631.40908

Names & synonyms

EverninomycinEverninomicin53024-98-9evernonimycinC12050SCHEMBL23521441SCHEMBL29353187CHEBI:29581Q27110157everninomycins

Database identifiers

CAS: 53024-98-9
PubChem CID: 443597
ChEBI: CHEBI:29581

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 482 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 38
Rotatable bonds: 22
Heavy atoms: 111
Formal charge: 0
Complexity: 3,160

Physicochemical properties

EWG's Food Scores: 1 · 1

Chemistry & industry

Suppliers1 total

河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]

Additional notes

DefinitionChEBI: Everninomycin is an amino oligosaccharide.

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…