GD023896

Name:

None

Formula:

C47H78O33N6P2

Smiles:

CC(=O)N[C@H](C(=O)N[C@H](CCCCNC(=O)c1ccccc1N)C(=O)N[C@H](C(N)=O)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)[C@H]1O)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC(=O)NC(C(=O)NC(CCCCNC(=O)c1ccccc1N)C(=O)NC(C(N)=O)C(C)O)C(C)O.COP(=O)(O)O.COP(=O)(O)O

Sugarmoiety:

OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL1162089

AD00079

Formula: CH5O4P

Smiles:

COP(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.27	Num_rotatable_bonds:	1
MolWt:	112.02	Num_heavy_atoms:	6
TPSA:	66.76	NumAromaticRings:	0

AD16024

Formula: C23H36O7N6

Smiles:

CC(=O)NC(C(=O)NC(CCCCNC(=O)c1ccccc1N)C(=O)NC(C(N)=O)C(C)O)C(C)O

HBA:	13	RingCount:	1
HBD:	10	FractionCSP3:	0.52
AlogP:	-2.11	Num_rotatable_bonds:	14
MolWt:	508.58	Num_heavy_atoms:	36
TPSA:	225.97	NumAromaticRings:	1