GD111062

Name:

None

Formula:

C31H27O8N3

Smiles:

C[C@@]1(O)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O

Aglycone:

COC(=O)c1ccccc1.O=C(Nc1cc[nH]c(=O)n1)c1ccccc1.O=C(O)c1ccccc1

Sugarmoiety:

CC1(O)OC(CO)OC1O

Other Identifiers

• ZINC000113902757

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

AD05677

Formula: C11H9O2N3

Smiles:

O=C(Nc1cc[nH]c(=O)n1)c1ccccc1

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	1.02	Num_rotatable_bonds:	2
MolWt:	215.21	Num_heavy_atoms:	16
TPSA:	74.85	NumAromaticRings:	2