GD027677

Name:

None

Formula:

C56H95O18N13

Smiles:

CCCCCCCCNC(=O)NC[C@@H]1O[C@H](OC(C2C(=O)N(CCCCCCCC)C(=O)N2CCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]2CCN=C(N)N2)[C@H](O)C(C)C)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](OC)[C@H]1O

Aglycone:

CCCCCCCCN1C(=O)C(CO)N(CCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C2CCN=C(N)N2)C(O)C(C)C)C1=O.CCCCCCCCNC(=O)NC.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

COC1C(OOC2OC(O)C(O)C2O)OC(O)C1O

Other Identifiers

• CHEMBL3142352

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

AD18157

Formula: C33H59O9N9

Smiles:

CCCCCCCCN1C(=O)C(CO)N(CCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C2CCN=C(N)N2)C(O)C(C)C)C1=O

HBA:	18	RingCount:	2
HBD:	10	FractionCSP3:	0.79
AlogP:	-0.57	Num_rotatable_bonds:	22
MolWt:	725.89	Num_heavy_atoms:	51
TPSA:	268.12	NumAromaticRings:	0

AD18158

Formula: C10H22ON2

Smiles:

CCCCCCCCNC(=O)NC

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.9
AlogP:	2.28	Num_rotatable_bonds:	7
MolWt:	186.3	Num_heavy_atoms:	13
TPSA:	41.13	NumAromaticRings:	0