GD002911

Name:

None

Formula:

C42H74O13N10

Smiles:

CCCCCCCCCCCCCCC[C@H](NC(=O)[C@H](N)[C@@H]1CCNC(=N)N1)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O

Aglycone:

CCCCCCCCCCCCCCCC(NC(=O)C(N)C1CCNC(=N)N1)C(=O)NCCCNC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL1934243
• CHEMBL1934244

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

AD02714

Formula: C29H57O5N7

Smiles:

CCCCCCCCCCCCCCCC(NC(=O)C(N)C1CCNC(=N)N1)C(=O)NCCCNC(CO)C(=O)O

HBA:	12	RingCount:	1
HBD:	10	FractionCSP3:	0.86
AlogP:	1.71	Num_rotatable_bonds:	25
MolWt:	583.82	Num_heavy_atoms:	41
TPSA:	201.69	NumAromaticRings:	0