GD023040

Name:

None

Formula:

C40H52O18N7P

Smiles:

C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@@]2(O)c1cn(CC(=O)N[C@@H]2[C@H](O)C[C@](OP(=O)([O-])OC[C@@H]3O[C@H](n4ccc(N)nc4=O)[C@H](O)[C@H]3O)(C(=O)[O-])O[C@H]2[C@H](O)[C@H](O)CO)nn1

Aglycone:

COP(=O)([O-])OC1(C(=O)[O-])CC(O)C(NC(=O)Cn2cc(C3(O)CCC4C5CCc6cc(O)ccc6C5CCC43C)nn2)C(C(O)C(O)CO)O1.Nc1cc[nH]c(=O)n1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL1214872

AD00115

Formula: C4H5ON3

Smiles:

Nc1cc[nH]c(=O)n1

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	111.1	Num_heavy_atoms:	8
TPSA:	71.77	NumAromaticRings:	1

AD15542

Formula: C32H43O14N4P

Smiles:

COP(=O)([O-])OC1(C(=O)[O-])CC(O)C(NC(=O)Cn2cc(C3(O)CCC4C5CCc6cc(O)ccc6C5CCC43C)nn2)C(C(O)C(O)CO)O1

HBA:	18	RingCount:	6
HBD:	7	FractionCSP3:	0.69
AlogP:	-2.35	Num_rotatable_bonds:	11
MolWt:	738.68	Num_heavy_atoms:	51
TPSA:	289.14	NumAromaticRings:	2