CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O
CAS: 114-07-8
Название: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
SMILES: CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O

Molecular Processing

Molecular formula
C37H67NO13
Molecular weight
733.94
Exact mass
733.4612
XLogP
1.79
TPSA
193.91
H-bond donors
5
H-bond acceptors
14
Rotatable bonds
7
Heavy atoms
51
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
18
Undefined stereo
18
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.946
Molar refractivity
186.26

Supplementary Information

InChIKey: ULGZDMOVFRHVEP-RWJQBGPGSA-N
Синонимы
erythromycin114-07-8Erythromycin AAbomacetinEmgelErymaxIlotycinEritromicinaErythromycineErythromycinumRobimycinErydermErythromycin baseErycetteErygelSansacE-MycinErythro-StatinErythra-DermAkne-MycinERYCE-GladesEry-TabE-BaseStiemycinR-P MycinEryc SprinklesE-Solve 2Erythromast 36T-Stat
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