GD024786

Name:

None

Formula:

C41H36O13N3Br

Smiles:

CC(=O)OC[C@@H]1O[C@H](N2C(=O)C(=C3C(=O)Nc4ccc(C#CCNC(=O)OCc5ccccc5)cc43)c3cc(Br)ccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C(NCC#Cc1ccc2c(c1)C(=C1C(=O)Nc3ccc(Br)cc31)C(=O)N2)OCc1ccccc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL552696

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

AD16510

Formula: C27H18O4N3Br

Smiles:

O=C(NCC#Cc1ccc2c(c1)C(=C1C(=O)Nc3ccc(Br)cc31)C(=O)N2)OCc1ccccc1

HBA:	7	RingCount:	5
HBD:	3	FractionCSP3:	0.07
AlogP:	4.54	Num_rotatable_bonds:	3
MolWt:	528.36	Num_heavy_atoms:	35
TPSA:	96.53	NumAromaticRings:	3