GD029861

Name:

None

Formula:

C40H64O29N4

Smiles:

CC(=O)N[C@@H]1[C@H](O[C@H](C)[C@H](N)C(=O)O)O[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]1O[C@H]1O[C@@H](CO)[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.CC(O)C(N)C(=O)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

• CHEMBL1836306

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

AD02859

Formula: C4H9O3N

Smiles:

CC(O)C(N)C(=O)O

HBA:	4	RingCount:	0
HBD:	4	FractionCSP3:	0.75
AlogP:	-1.22	Num_rotatable_bonds:	2
MolWt:	119.12	Num_heavy_atoms:	8
TPSA:	83.55	NumAromaticRings:	0