6-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLOXAN-2-YL]OXY}-14-ETHYL-7,12,13-TRIHYDROXY-4-[(5-HYDROXY-4-METHOXY-4,6-DIMETHYLOXAN-2-YL)OXY]-3,5,7,9,11,13-HEXAMETHYL-1-OXACYCLO

/static/temp/default.svg Search structure
Keyword(s): Persistent mobile and Toxic Substances
Molecule Category Free-form
EPA CompTox DTXSID90859206

Structure

InChI Key ULGZDMOVFRHVEP-UHFFFAOYSA-N
Smiles CCC1C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC2C(O)C(N(C)C)CC(C)O2)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(=O)O1
InChI
InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H67NO13
Molecular Weight 733.46
AlogP 1.79
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 193.91
Heavy Atoms 51.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 3255
CONTENTS