GD000546

Name:

None

Formula:

C47H67O16N11

Smiles:

COc1ccc(Cn2c(=O)ccn([C@@H]3OC([C@H](O)[C@H](NCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)N[C@H](C(=O)OCc4ccccc4)C(C)C)C(=O)O)[C@H](O)[C@H]3O)c2=O)cc1

Aglycone:

CC(C)CC(NC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)NC(C(=O)OCc1ccccc1)C(C)C)C(=O)NCCCNC(CO)C(=O)O.COc1ccc(Cn2c(=O)cc[nH]c2=O)cc1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL214711

AD00599

Formula: C31H51O10N9

Smiles:

CC(C)CC(NC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)NC(C(=O)OCc1ccccc1)C(C)C)C(=O)NCCCNC(CO)C(=O)O

HBA:	19	RingCount:	1
HBD:	10	FractionCSP3:	0.61
AlogP:	-0.63	Num_rotatable_bonds:	23
MolWt:	709.8	Num_heavy_atoms:	50
TPSA:	288.74	NumAromaticRings:	1

AD00600

Formula: C12H12O3N2

Smiles:

COc1ccc(Cn2c(=O)cc[nH]c2=O)cc1

HBA:	5	RingCount:	2
HBD:	1	FractionCSP3:	0.17
AlogP:	0.59	Num_rotatable_bonds:	3
MolWt:	232.24	Num_heavy_atoms:	17
TPSA:	64.09	NumAromaticRings:	2