GD020129

Name:

None

Formula:

C46H78O28N10

Smiles:

CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](N)CCCN=C(N)N

Aglycone:

CC(=O)NC1C(NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(N)CCCN=C(N)N)OC(CO)C(O)C1O.CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3215420

AD00077

Formula: C11H19O9N

Smiles:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

HBA:	10	RingCount:	1
HBD:	7	FractionCSP3:	0.82
AlogP:	-3.87	Num_rotatable_bonds:	5
MolWt:	309.27	Num_heavy_atoms:	21
TPSA:	176.78	NumAromaticRings:	0

AD13946

Formula: C23H41O11N9

Smiles:

CC(=O)NC1C(NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(N)CCCN=C(N)N)OC(CO)C(O)C1O

HBA:	20	RingCount:	1
HBD:	15	FractionCSP3:	0.7
AlogP:	-6.99	Num_rotatable_bonds:	16
MolWt:	619.63	Num_heavy_atoms:	43
TPSA:	343.14	NumAromaticRings:	0