GD005763

Name:

None

Formula:

C95H158O35N31P3S

Smiles:

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NCC(=O)[C@H](CNC(=O)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O

Aglycone:

COP(=O)(O)OP(=O)(O)OP(=O)(O)OCCC(=O)NCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)CNC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL411193

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

AD04846

Formula: C86H149O32N26P3S

Smiles:

COP(=O)(O)OP(=O)(O)OP(=O)(O)OCCC(=O)NCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)CNC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O

HBA:	58	RingCount:	3
HBD:	38	FractionCSP3:	0.69
AlogP:	-5.48	Num_rotatable_bonds:	78
MolWt:	2184.28	Num_heavy_atoms:	148
TPSA:	954.2	NumAromaticRings:	1