GD012115

Name:

None

Formula:

C75H109O20N25S2

Smiles:

CC(C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](NC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)CSSC[C@H](C(=O)NCC(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O

Aglycone:

CC(C)C1NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(NC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC=O)CSSCC(C(=O)NCC(N)=O)NC(=O)CNC(=O)C(Cc2ccccc2)NC1=O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL609011

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

AD09151

Formula: C66H100O17N20S2

Smiles:

CC(C)C1NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(NC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC=O)CSSCC(C(=O)NCC(N)=O)NC(=O)CNC(=O)C(Cc2ccccc2)NC1=O

HBA:	37	RingCount:	3
HBD:	22	FractionCSP3:	0.55
AlogP:	-6.27	Num_rotatable_bonds:	36
MolWt:	1509.78	Num_heavy_atoms:	105
TPSA:	570.59	NumAromaticRings:	2