GD017599

Name:

None

Formula:

C68H92O26N12

Smiles:

C[C@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](COC(=O)C(c2ccccc2)c2ccccc2)NC(=O)[C@H]([C@H](O)[C@@H]2CNC(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]2CNC(N)N2)NC(=O)[C@H](Cc2ccc(O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2)NC1=O

Aglycone:

CC(c1ccccc1)C1NC(=O)CNC(=O)C(COC(=O)C(c2ccccc2)c2ccccc2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(Cc2ccc(O)cc2)NC1=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL607387

AD12543

Formula: C50H62O11N12

Smiles:

CC(c1ccccc1)C1NC(=O)CNC(=O)C(COC(=O)C(c2ccccc2)c2ccccc2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(Cc2ccc(O)cc2)NC1=O

HBA:	23	RingCount:	7
HBD:	17	FractionCSP3:	0.38
AlogP:	-4.0	Num_rotatable_bonds:	13
MolWt:	1007.12	Num_heavy_atoms:	73
TPSA:	361.75	NumAromaticRings:	4