(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-(4-DIMETHYLAMINO-3-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-2-ETHYL-3,4,10-TRIHYDROXY-13-(5-HYDROXY-4-METHOXY-4,6-DIMETHYL-TETRAHYDROPYRAN-2-YLOXY)-3,5,8,10,12,14-HEXAMETHYL-1-OXA-6-AZACYCLOPENTADECAN-15-ONE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key HRKNNHYKWGYTEN-UHFFFAOYSA-N
Smiles CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)CNC(C)C(O)C1(C)O
InChI
InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H70N2O12
Molecular Weight 734.49
AlogP 1.56
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 7.0
Polar Surface Area 188.87
Heavy Atoms 51.0

Cross References

Resources Reference
CAS NUMBER 76801-85-9
NORMAN SUSDAT
PubChem 13326561
ChemSpider 19046534.0
CONTENTS