GD037977

Name:

dendron d2-1

Formula:

C49H80O33N10

Smiles:

NC(COCc1cn([C@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)nn1)(COCc1cn([C@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)nn1)COCc1cn([C@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)nn1

Aglycone:

NC(COCC1=C[N]N=N1)(COCC1=C[N]N=N1)COCC1=C[N]N=N1

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• 4S0

AD23811

Formula: C13H17O3N10

Smiles:

NC(COCC1=C[N]N=N1)(COCC1=C[N]N=N1)COCC1=C[N]N=N1

HBA:	13	RingCount:	3
HBD:	2	FractionCSP3:	0.54
AlogP:	0.21	Num_rotatable_bonds:	12
MolWt:	361.35	Num_heavy_atoms:	26
TPSA:	170.17	NumAromaticRings:	0