GD028948

Name:

None

Formula:

C61H88O25N12

Smiles:

NC1=NC[C@H]([C@H](O)[C@@H]2NC(=O)[C@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@@H]6COC(Cc7ccccc7)O[C@H]6[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc3)NC(=O)C(CC3CCCCC3)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)[C@@H]3CN=C(N)N3[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)NC2=O)N1

Aglycone:

NC1=NCC(C(O)C2NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CC3CCCCC3)NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C3CN=C(N)N3)NC2=O)N1.OC1OC2COC(Cc3ccccc3)OC2C(O)C1O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL411818

AD01950

Formula: C14H18O6

Smiles:

OC1OC2COC(Cc3ccccc3)OC2C(O)C1O

HBA:	6	RingCount:	3
HBD:	3	FractionCSP3:	0.57
AlogP:	-0.59	Num_rotatable_bonds:	2
MolWt:	282.29	Num_heavy_atoms:	20
TPSA:	88.38	NumAromaticRings:	1

AD09361

Formula: C35H52O10N12

Smiles:

NC1=NCC(C(O)C2NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CC3CCCCC3)NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C3CN=C(N)N3)NC2=O)N1

HBA:	22	RingCount:	5
HBD:	16	FractionCSP3:	0.6
AlogP:	-6.25	Num_rotatable_bonds:	9
MolWt:	800.88	Num_heavy_atoms:	57
TPSA:	356.34	NumAromaticRings:	1