GD022739

Name:

None

Formula:

C43H67O18N15S2

Smiles:

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC=O)[C@H](C)O)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c([N+](=O)[O-])cccc32)[C@H](O)[C@H]1O

Aglycone:

CCC(C)C(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC=O)C(C)O)C(=O)NS(=O)(=O)OC.O=[N+]([O-])c1cccc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL3265245

AD00730

Formula: C32H58O13N12S2

Smiles:

CCC(C)C(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC=O)C(C)O)C(=O)NS(=O)(=O)OC

HBA:	25	RingCount:	0
HBD:	15	FractionCSP3:	0.69
AlogP:	-6.01	Num_rotatable_bonds:	29
MolWt:	883.02	Num_heavy_atoms:	59
TPSA:	401.39	NumAromaticRings:	0

AD00777

Formula: C7H4O2N3

Smiles:

O=[N+]([O-])c1cccc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	0	FractionCSP3:	0.0
AlogP:	1.5	Num_rotatable_bonds:	1
MolWt:	162.13	Num_heavy_atoms:	12
TPSA:	69.6	NumAromaticRings:	1