GD010144

Name:

None

Formula:

C27H35O11N3Cl2

Smiles:

CCOC(=O)c1cc(CN(CCCl)CCCl)nn1[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CCOC(=O)C1=CC(CN(CCCl)CCCl)=N[N]1.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL3229423

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD05833

Formula: C13H16O2N3Cl2

Smiles:

CCOC(=O)C1=CC(CN(CCCl)CCCl)=N[N]1

HBA:	5	RingCount:	1
HBD:	0	FractionCSP3:	0.64
AlogP:	1.19	Num_rotatable_bonds:	8
MolWt:	293.17	Num_heavy_atoms:	18
TPSA:	56.0	NumAromaticRings:	0