GD030981

Name:

None

Formula:

C41H75O11N9

Smiles:

CCCCCCCCCCCCCCCCC(=O)NCCCN[C@H](C(=O)NCCCCNC(=N)N)[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:

CCCCCCCCCCCCCCCCC(=O)NCCCNC(CO)C(=O)NCCCCNC(=N)N.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3288186

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

AD20014

Formula: C28H58O3N6

Smiles:

CCCCCCCCCCCCCCCCC(=O)NCCCNC(CO)C(=O)NCCCCNC(=N)N

HBA:	9	RingCount:	0
HBD:	8	FractionCSP3:	0.89
AlogP:	3.69	Num_rotatable_bonds:	27
MolWt:	526.81	Num_heavy_atoms:	37
TPSA:	152.36	NumAromaticRings:	0