GD114455

Name:

None

Formula:

C61H97O43N

Smiles:

CC1(C)C(O)=C(O)NC1Cc1ccc(OC2OC(COC3OC(COC4OC(COC5OC(COC6OC(COC7OC(COC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8O)C(O)C(O)C7O)C(O)C(O)C6O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)cc1

Aglycone:

CC1(C)C(O)=C(O)NC1Cc1ccc(O)cc1

Sugarmoiety:

OCC1OC(OCC2OC(OCC3OC(OCC4OC(OCC5OC(OCC6OC(OCC7OC(OCC8OC(O)C(O)C(O)C8O)C(O)C(O)C7O)C(O)C(O)C6O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0437184

AD45068

Formula: C13H17O3N

Smiles:

CC1(C)C(O)=C(O)NC1Cc1ccc(O)cc1

HBA:	4	RingCount:	2
HBD:	4	FractionCSP3:	0.38
AlogP:	2.22	Num_rotatable_bonds:	2
MolWt:	235.28	Num_heavy_atoms:	17
TPSA:	72.72	NumAromaticRings:	1