GD003406

Name:

None

Formula:

C52H87O18N13

Smiles:

CCCCCCNC(=O)NC[C@@H]1O[C@H](OC(C2C(=O)N(CCCCCC)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:

CCCCCCN1C(=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.CCCCCCNC(=O)NC.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3142357

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

AD03101

Formula: C31H55O9N9

Smiles:

CCCCCCN1C(=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:	0.77
AlogP:	-1.35	Num_rotatable_bonds:	20
MolWt:	697.83	Num_heavy_atoms:	49
TPSA:	268.12	NumAromaticRings:	0

AD03102

Formula: C8H18ON2

Smiles:

CCCCCCNC(=O)NC

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.88
AlogP:	1.5	Num_rotatable_bonds:	5
MolWt:	158.25	Num_heavy_atoms:	11
TPSA:	41.13	NumAromaticRings:	0