Auramycin F

Substructure search Find similar structures

Basic information

CAS: 83829-32-7
Standard SMILES: COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]4C[C@H](O)[C@H](O[C@H]5CC[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@H](C)O2)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O
InChIKey: WGLYNEPBFANBDP-LPXMBIOWSA-N
Molecular formula: C41H53NO15
Average molar mass: 799.9 g/mol
Monoisotopic mass: 799.34151998

Overview

Auramycin F has been reported in Streptomyces galilaeus and Streptomyces bobili with data available.

Names & identifiers

Preferred name: Auramycin F
IUPAC: methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
English name: auramycin F
Molecular formula: C41H53NO15
Molecular weight: 799.85722

Names & synonyms

Auramycin F83829-32-7DTXSID50232733methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2S-(2alpha,5beta,6beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1alpha,2beta,4beta))-methyl (1R,2R,4S)-4-((2R,4S,5S,6S)-4-(dimethylamino)-5-((2S,4S,5S,6S)-4-hydroxy-5-((2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl)oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylateRefChem:115577DTXCID80155224SCHEMBL29884959Methyl (1R,2R,4S)-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Database identifiers

CAS: 83829-32-7
PubChem CID: 196559
DTXSID: DTXSID50232733
Nikkaji: J163.738J

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 220 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 16
Rotatable bonds: 9
Heavy atoms: 57
Formal charge: 0
Complexity: 1,470

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…