GD031974

Name:

None

Formula:

C42H75O9N11

Smiles:

CCCCCCCCCCCCCCC[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)NC[C@@H]1CC[C@@H]2[C@H](C(=O)N1)[C@H]([C@@H]1O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]1O)ON2CCCN

Aglycone:

CCCCCCCCCCCCCCCC(NC(=O)C(N)CCCNC(=N)N)C(=O)NCC1CCC2C(CON2CCCN)C(=O)N1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL4446043

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

AD20547

Formula: C34H67O4N9

Smiles:

CCCCCCCCCCCCCCCC(NC(=O)C(N)CCCNC(=N)N)C(=O)NCC1CCC2C(CON2CCCN)C(=O)N1

HBA:	13	RingCount:	2
HBD:	11	FractionCSP3:	0.88
AlogP:	2.52	Num_rotatable_bonds:	26
MolWt:	665.97	Num_heavy_atoms:	47
TPSA:	213.71	NumAromaticRings:	0