GD008019

Name:

None

Formula:

C77H106O19N18S3

Smiles:

CSCC[C@H](NC=O)C(=O)N[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)[C@H](C)OC(C)(C)C

Aglycone:

COS(=O)(=O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)C(CCSC)NC=O)C(C)OC(C)(C)C.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL1818535

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

AD06454

Formula: C68H97O16N13S3

Smiles:

COS(=O)(=O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)C(CCSC)NC=O)C(C)OC(C)(C)C

HBA:	29	RingCount:	5
HBD:	14	FractionCSP3:	0.5
AlogP:	2.17	Num_rotatable_bonds:	38
MolWt:	1448.8	Num_heavy_atoms:	100
TPSA:	431.8	NumAromaticRings:	4