GD028163

Name:

None

Formula:

C45H79O12N23

Smiles:

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CNCCCN(CC[C@H](N)C(=O)O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CO)C(N)=O

Aglycone:

CN(CCCNCC(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(N)=O)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL4453066

AD00058

Formula: C5H4N5

Smiles:

Nc1ncnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.03	Num_rotatable_bonds:	0
MolWt:	134.12	Num_heavy_atoms:	10
TPSA:	78.26	NumAromaticRings:	1

AD18435

Formula: C36H70O9N18

Smiles:

CN(CCCNCC(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(N)=O)CCC(N)C(=O)O

HBA:	27	RingCount:	1
HBD:	23	FractionCSP3:	0.72
AlogP:	-7.1	Num_rotatable_bonds:	32
MolWt:	899.07	Num_heavy_atoms:	63
TPSA:	464.32	NumAromaticRings:	0