GD111070

Name:

None

Formula:

C34H38O9N2

Smiles:

COCCO[C@@H]1[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@H]1O

Aglycone:

COCCO.COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1.Cc1c[nH]c(=O)[nH]c1=O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• ZINC000230402205

AD00276

Formula: C5H6O2N2

Smiles:

Cc1c[nH]c(=O)[nH]c1=O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.2
AlogP:	-0.63	Num_rotatable_bonds:	0
MolWt:	126.11	Num_heavy_atoms:	9
TPSA:	65.72	NumAromaticRings:	1

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