23-Demycinosyltylosin

AlkaPlorer ID: AK026290

Synonym: 'Demycinosyltylosin', '23-O-Demycinosyltylosin', '23-Demycinosyltylosin', 'Antibiotic YO 9010'

IUPAC Name: 2-[(4R,5R,6S,7R,9R,11Z,13E,15S,16R)-6-[(2S,3R,4S,5S,6S)-5-[(2S,4S,5R,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

Structure

SMILES: CC[C@H]1OC(=O)C[C@@H](O)[C@@H](C)[C@@H](O[C@H]2O[C@@H](C)[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\C(C)=C\[C@H]1CO

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InChI: InChI=1S/C38H63NO13/c1-10-29-26(19-41)15-20(2)11-12-27(42)21(3)16-25(13-14-40)34(22(4)28(43)17-30(44)50-29)52-37-33(45)32(39(8)9)35(23(5)49-37)51-31-18-38(7,47)36(46)24(6)48-31/h11-12,14-15,21-26,28-29,31-37,41,43,45-47H,10,13,16-19H2,1-9H3/b12-11-,20-15+/t21-,22-,23+,24+,25+,26+,28-,29-,31+,32+,33-,34-,35-,36-,37-,38+/m1/s1

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InChIKey: ZVOOGERIHVAODX-SSHKEBQBSA-N

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Source

Properties Information

Molecule Weight: 741.916

TPSA: 201.75

MolLogP: 1.673500000000005

Number of H-Donors: 5

Number of H-Acceptors: 14

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information