GD029348

Name:

None

Formula:

C43H68O30N4

Smiles:

COC(=O)[C@H](NC(C)=O)[C@H](C)O[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@@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]1NC(C)=O

Aglycone:

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

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)OC1O

Other Identifiers

• CHEMBL1836339

AD00303

Formula: C11H18O9N

Smiles:

CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO

HBA:	10	RingCount:	1
HBD:	6	FractionCSP3:	0.82
AlogP:	-5.21	Num_rotatable_bonds:	5
MolWt:	308.26	Num_heavy_atoms:	21
TPSA:	179.61	NumAromaticRings:	0

AD01289

Formula: C12H20O9N

Smiles:

COC1(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1

HBA:	10	RingCount:	1
HBD:	5	FractionCSP3:	0.83
AlogP:	-4.55	Num_rotatable_bonds:	6
MolWt:	322.29	Num_heavy_atoms:	22
TPSA:	168.61	NumAromaticRings:	0

AD02316

Formula: C7H13O4N

Smiles:

COC(=O)C(NC(C)=O)C(C)O

HBA:	5	RingCount:	0
HBD:	2	FractionCSP3:	0.71
AlogP:	-0.96	Num_rotatable_bonds:	3
MolWt:	175.18	Num_heavy_atoms:	12
TPSA:	75.63	NumAromaticRings:	0