GD112852

Name:

None

Formula:

C41H43O9N3

Smiles:

COCCO[C@@H]1[C@@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cc(C)c(NC(=O)c2ccccc2)nc1=O

Aglycone:

COCCO.COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1.Cc1c[nH]c(=O)nc1NC(=O)c1ccccc1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• ZINC000599382859

AD00384

Formula: C3H8O2

Smiles:

COCCO

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.37	Num_rotatable_bonds:	2
MolWt:	76.09	Num_heavy_atoms:	5
TPSA:	29.46	NumAromaticRings:	0

AD07921

Formula: C22H22O3

Smiles:

COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1

HBA:	3	RingCount:	3
HBD:	0	FractionCSP3:	0.18
AlogP:	4.64	Num_rotatable_bonds:	6
MolWt:	334.42	Num_heavy_atoms:	25
TPSA:	27.69	NumAromaticRings:	3

AD32228

Formula: C12H11O2N3

Smiles:

Cc1c[nH]c(=O)nc1NC(=O)c1ccccc1

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.08
AlogP:	1.33	Num_rotatable_bonds:	2
MolWt:	229.24	Num_heavy_atoms:	17
TPSA:	74.85	NumAromaticRings:	2