3-O-DESCLADINOSYL-6,12-DI-O-ALLYL-3-OXO-9A-AZA-9A-HOMOERYTHROMYCIN A
FEATURES
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NAMES
  • 3-O-Descladinosyl-6,12-Di-O-Allyl-3-Oxo-9A-Aza-9A-Homoerythromycin A
SMILES
C=CCO[C@]1(C)C[C@@H](C)C(=O)N[C@H](C)[C@H](O)[C@@](C)(OCC=C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O
InChI
InChI=1S/C35H60N2O10/c1-13-16-43-34(9)19-20(4)31(41)36-24(8)29(40)35(10,44-17-14-2)26(15-3)46-32(42)23(7)27(38)22(6)30(34)47-33-28(39)25(37(11)12)18-21(5)45-33/h13-14,20-26,28-30,33,39-40H,1-2,15-19H2,3-12H3,(H,36,41)/t20-,21-,22+,23-,24-,25+,26-,28-,29+,30-,33+,34-,35+/m1/s1
MOLECULAR FORMULA
C35H60N2O10
CROSS REFERENCES
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3-O-DESCLADINOSYL-6,12-DI-O-ALLYL-3-OXO-9A-AZA-9A-HOMOERYTHROMYCIN A
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight668.42
AlogP2.79
HBond donors3
HBond acceptors12
Atoms107
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 3-O-DESCLADINOSYL-6,12-DI-O-ALLYL-3-OXO-9A-AZA-9A-HOMOERYTHROMYCIN A.