GD021596

Name:

None

Formula:

C42H55O20N

Smiles:

COc1ccc(C=CC(=O)NCCc2ccc(O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1

Aglycone:

COC(C)=O.COC(C)=O.COc1ccc(C=CC(=O)NCCc2ccc(O)cc2)cc1

Sugarmoiety:

CC(=O)OCC1OC(OC2C(O)OC(C)OC2OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3109408
• CHEMBL3109412

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

AD00409

Formula: C18H19O3N

Smiles:

COc1ccc(C=CC(=O)NCCc2ccc(O)cc2)cc1

HBA:	4	RingCount:	2
HBD:	2	FractionCSP3:	0.17
AlogP:	2.77	Num_rotatable_bonds:	6
MolWt:	297.35	Num_heavy_atoms:	22
TPSA:	58.56	NumAromaticRings:	2