GD029415

Name:

None

Formula:

C25H32O10N4Cl2

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2nc(CN(CCCl)CCCl)cc2C(N)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CHEMBL3229426

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

AD16567

Formula: C11H13ON4Cl2

Smiles:

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

HBA:	5	RingCount:	1
HBD:	2	FractionCSP3:	0.56
AlogP:	0.11	Num_rotatable_bonds:	7
MolWt:	264.14	Num_heavy_atoms:	16
TPSA:	72.79	NumAromaticRings:	0