GD131021

Name:

None

Formula:

C56H89O38N

Smiles:

COC1C(O)C(COC2OC(COC3OC(COC4OC(COC5OC(COC6OC(CO)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)OC(OCC2OC(Oc3ccc(CC4NC(O)=C(O)C4(C)C)cc3)C(O)C(O)C2O)C1O

Aglycone:

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

Sugarmoiety:

COC1C(O)C(COC2OC(COC3OC(COC4OC(COC5OC(COC6OC(CO)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)OC(OCC2OC(O)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0453269

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