GD030128

Name:

None

Formula:

C38H54O14N10

Smiles:

CC[C@H](NC(=O)CO[C@@H]1[C@H](O)[C@H](CO)O[C@H](OCc2ccccc2)[C@H]1NC(C)=O)C(=O)N[C@H](CCC(=O)NCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)C(N)=O

Aglycone:

CCC(NC(=O)CO)C(=O)NC(CCC(=O)NCCNc1ncnc2c1N=C[N]2)C(N)=O.OCc1ccccc1

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL3315303

AD00044

Formula: C7H8O

Smiles:

OCc1ccccc1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.14
AlogP:	1.18	Num_rotatable_bonds:	1
MolWt:	108.14	Num_heavy_atoms:	8
TPSA:	20.23	NumAromaticRings:	1

AD19515

Formula: C18H26O5N9

Smiles:

CCC(NC(=O)CO)C(=O)NC(CCC(=O)NCCNc1ncnc2c1N=C[N]2)C(N)=O

HBA:	14	RingCount:	2
HBD:	7	FractionCSP3:	0.5
AlogP:	-2.45	Num_rotatable_bonds:	13
MolWt:	448.46	Num_heavy_atoms:	32
TPSA:	214.89	NumAromaticRings:	1