GD003742

Name:

None

Formula:

C37H43O11N4FCl2

Smiles:

CC(=O)OC[C@@H]1O[C@H](OC(=O)Nc2ccc(NC(=O)CNC(=O)CCCc3ccc(N(CCCl)CCCl)cc3)cc2)[C@H](F)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C(O)Nc1ccc(NC(=O)CNC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4214989

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

AD03355

Formula: C25H28O4N4Cl2

Smiles:

O=C(O)Nc1ccc(NC(=O)CNC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)cc1

HBA:	8	RingCount:	2
HBD:	4	FractionCSP3:	0.35
AlogP:	4.14	Num_rotatable_bonds:	13
MolWt:	495.41	Num_heavy_atoms:	33
TPSA:	110.77	NumAromaticRings:	2