GD016172

Name:

None

Formula:

C47H87O12N13

Smiles:

CCCCCCCCCCCCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=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)NC(CCCNC(=N)N)C(=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

• CHEMBL3288188

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

AD11680

Formula: C34H70O4N10

Smiles:

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

HBA:	14	RingCount:	0
HBD:	13	FractionCSP3:	0.85
AlogP:	2.44	Num_rotatable_bonds:	33
MolWt:	683.0	Num_heavy_atoms:	48
TPSA:	243.36	NumAromaticRings:	0