GD018283

Name:

None

Formula:

C58H101O13N31

Smiles:

C[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O

Aglycone:

CC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)N1CCCC1C(=O)N1CCCC1C=O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL611120

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

AD12930

Formula: C49H92O10N26

Smiles:

CC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)N1CCCC1C(=O)N1CCCC1C=O

HBA:	36	RingCount:	2
HBD:	31	FractionCSP3:	0.69
AlogP:	-7.4	Num_rotatable_bonds:	40
MolWt:	1205.45	Num_heavy_atoms:	85
TPSA:	623.92	NumAromaticRings:	0