GD032117

Name:

None

Formula:

C37H44O13N2

Smiles:

COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1

Aglycone:

COC(=O)C1CCC(C)C(c2ccc(C)cc2)N1C(=O)c1ccc(C=NO)cc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1356331

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

AD20625

Formula: C23H26O4N2

Smiles:

COC(=O)C1CCC(C)C(c2ccc(C)cc2)N1C(=O)c1ccc(C=NO)cc1

HBA:	6	RingCount:	3
HBD:	1	FractionCSP3:	0.35
AlogP:	3.96	Num_rotatable_bonds:	4
MolWt:	394.47	Num_heavy_atoms:	29
TPSA:	79.2	NumAromaticRings:	2