GD027104

Name:

None

Formula:

C45H61O14N10P2S

Smiles:

Cc1ncsc1-c1ccc(CNC(=O)C2C[C@H](O)CN2C(=O)[C@H](NC(=O)CCCCCNP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3c[n+](Cc4ccccc4)c4c(=O)[nH]c(N)nc43)[C@H](O)[C@H]2O)C(C)(C)C)cc1

Aglycone:

COP(=O)(O)OP(=O)(O)NCCCCCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C.Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccccc1)=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL4776772

AD03263

Formula: C12H11ON5

Smiles:

Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccccc1)=C[N]2

HBA:	6	RingCount:	3
HBD:	3	FractionCSP3:	0.08
AlogP:	0.47	Num_rotatable_bonds:	2
MolWt:	241.25	Num_heavy_atoms:	18
TPSA:	88.88	NumAromaticRings:	2

AD17842

Formula: C29H45O10N5P2S

Smiles:

COP(=O)(O)OP(=O)(O)NCCCCCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C

HBA:	15	RingCount:	3
HBD:	6	FractionCSP3:	0.59
AlogP:	3.24	Num_rotatable_bonds:	16
MolWt:	717.72	Num_heavy_atoms:	47
TPSA:	216.72	NumAromaticRings:	2