GD040386

Name:

dendron-d3

Formula:

C69H77O39N20

Smiles:

[O][C][C]1O[C](n2[c]c(OCC(COCc3cn([C@H]4O[C@H](CO)[C@H](O)C(O)C4O)nn3)(COCc3cn([C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)nn3)NC(=O)c3cc(CO)cc(C(=O)N[C@@](COCc4cn([C]5O[C]([C][O])[C]([O])[C]([O])[C]5[O])nn4)(COCc4cn([C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)nn4)OCc4cn([C@H]5O[C@H](CO)C(O)C(O)C5O)nn4)c3)nn2)[C]([O])[C]([O])[C]1[O]

Aglycone:

O=C(NC(COCC1=C[N]N=N1)(COCC1=C[N]N=N1)COC1=C[N]N=N1)c1cc(CO)cc(C(=O)NC(COCC2=C[N]N=N2)(COCC2=C[N]N=N2)OCC2=C[N]N=N2)c1

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.[O][C][C]1O[C](O)[C]([O])[C]([O])[C]1[O].[O][C][C]1O[C](O)[C]([O])[C]([O])[C]1[O]

Other Identifiers

• VV7

AD24751

Formula: C33H34O9N20

Smiles:

O=C(NC(COCC1=C[N]N=N1)(COCC1=C[N]N=N1)COC1=C[N]N=N1)c1cc(CO)cc(C(=O)NC(COCC2=C[N]N=N2)(COCC2=C[N]N=N2)OCC2=C[N]N=N2)c1

HBA:	29	RingCount:	7
HBD:	3	FractionCSP3:	0.39
AlogP:	1.09	Num_rotatable_bonds:	27
MolWt:	854.77	Num_heavy_atoms:	62
TPSA:	366.73	NumAromaticRings:	1