GD036698

Name:

None

Formula:

C45H35O9N2Cl

Smiles:

Cc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

Aglycone:

COC(=O)c1ccccc1.Cc1ccc2[nH]cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c2c1.O=C(O)c1ccccc1.O=C(O)c1ccccc1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL4782812

AD00002

Formula: C7H6O2

Smiles:

O=C(O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	1.38	Num_rotatable_bonds:	1
MolWt:	122.12	Num_heavy_atoms:	9
TPSA:	37.3	NumAromaticRings:	1

AD00480

Formula: C8H8O2

Smiles:

COC(=O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.12
AlogP:	1.47	Num_rotatable_bonds:	1
MolWt:	136.15	Num_heavy_atoms:	10
TPSA:	26.3	NumAromaticRings:	1

AD20665

Formula: C19H15O2N2Cl

Smiles:

Cc1ccc2[nH]cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c2c1

HBA:	4	RingCount:	3
HBD:	2	FractionCSP3:	0.11
AlogP:	3.42	Num_rotatable_bonds:	3
MolWt:	326.78	Num_heavy_atoms:	23
TPSA:	61.96	NumAromaticRings:	3