GD005200

Name:

None

Formula:

C55H71O21N13

Smiles:

C[C@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@H](Cc2ccc3nc(-c4ccccc4OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)oc3c2)NC1=O

Aglycone:

CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc3nc(-c4ccccc4O)oc3c2)NC1=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL407365

AD04443

Formula: C43H51O11N13

Smiles:

CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc3nc(-c4ccccc4O)oc3c2)NC1=O

HBA:	24	RingCount:	7
HBD:	16	FractionCSP3:	0.37
AlogP:	-4.61	Num_rotatable_bonds:	10
MolWt:	925.96	Num_heavy_atoms:	67
TPSA:	382.37	NumAromaticRings:	4