GD017570

Name:

None

Formula:

C109H176O42N33P3S2

Smiles:

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](C)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)N[C@H](SC1CC(=O)N(CCOCCOCCOCCN2C(=O)CC(OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)C2=O)C1=O)C(=O)O

Aglycone:

COP(=O)(O)OP(=O)(O)OP(=O)(O)OC1CC(=O)N(CCOCCOCCOCCN2C(=O)CC(SC(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(Cc3ccccc3)NC(=O)C(C)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)CCCCC3SCC4NC(=O)NC43)C(=O)O)C2=O)C1=O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL439275

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

AD12523

Formula: C100H167O39N28P3S2

Smiles:

COP(=O)(O)OP(=O)(O)OP(=O)(O)OC1CC(=O)N(CCOCCOCCOCCN2C(=O)CC(SC(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(Cc3ccccc3)NC(=O)C(C)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)CCCCC3SCC4NC(=O)NC43)C(=O)O)C2=O)C1=O

HBA:	67	RingCount:	5
HBD:	38	FractionCSP3:	0.69
AlogP:	-6.53	Num_rotatable_bonds:	88
MolWt:	2542.65	Num_heavy_atoms:	172
TPSA:	1056.65	NumAromaticRings:	1