GD035431

Name:

None

Formula:

C56H93O37N7

Smiles:

CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](CO)O[C@H](OCCCCCCN=[N+]=[N-])[C@H](NC(C)=O)[C@H]3O)O[C@@H](CO)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO[C@@]2(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@H](O[C@@]2(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O

Aglycone:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1.[N-]=[N+]=NCCCCCCO

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)OC4O)C3NC(C)=O)C2O)C1O

Other Identifiers

• CHEMBL4464390

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

AD04680

Formula: C12H21O9N

Smiles:

COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1

HBA:	10	RingCount:	1
HBD:	6	FractionCSP3:	0.83
AlogP:	-3.22	Num_rotatable_bonds:	6
MolWt:	323.3	Num_heavy_atoms:	22
TPSA:	165.78	NumAromaticRings:	0

AD05617

Formula: C6H13ON3

Smiles:

[N-]=[N+]=NCCCCCCO

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	1.85	Num_rotatable_bonds:	6
MolWt:	143.19	Num_heavy_atoms:	10
TPSA:	68.99	NumAromaticRings:	0