NOBORITOMYCIN A

6-[(4R,6S)-8-[(2R,9S,10S,12R)-3-[(4R)-5-ethoxycarbonyl-4-hydroxyoxolan-2-yl]-15-hydroxy-2-methoxy-1,3,10,12-tetramethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-2-hydroxy-3-methylbenzoic acid

Also Known As: NOBORITOMYCIN A|AC1L18NE|6-[(4R,6S)-8-[(2R,9S,10S,12R)-3-[(4R)-5-ethoxycarbonyl-4-hydroxyoxolan-2-yl]-15-hydroxy-2-methoxy-1,3,10,12-tetramethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-2-hydroxy-3-methylbenzoic acid

Molecular Formula	C43H64O14
Molecular Weight	804.4296 g/mol
LogP	4.65
Topological Polar Surface Area	207.74 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	13
Exact Mass	804.4296
Heavy Atoms	57
Complexity	1680.4

Chemical Identifiers

CAS Number	68508-45-2
SMILES	CCOC(=O)C1[C@@H](CC(O1)C2([C@@H](C(C3(O2)C(C=CC4(O3)[C@@H](C[C@@H]([C@H](O4)C(C)C(=O)[C@@H](C)C([C@H](C)CC(C)C5=C(C(=C(C=C5)C)O)C(=O)O)O)C)C)O)C)OC)C)O