GD004185

Name:

None

Formula:

C33H40O14N2

Smiles:

CC(=O)OC[C@@H]1O[C@H](ON=C2C[C@H](O)[C@H](O)[C@H]3[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4CC[C@@H]23)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1C2CCC3C(=NO)CC(O)C(O)C3C2C(=O)N1Cc1ccccc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL1514572

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

AD03694

Formula: C19H22O5N2

Smiles:

O=C1C2CCC3C(=NO)CC(O)C(O)C3C2C(=O)N1Cc1ccccc1

HBA:	7	RingCount:	4
HBD:	3	FractionCSP3:	0.53
AlogP:	0.77	Num_rotatable_bonds:	2
MolWt:	358.39	Num_heavy_atoms:	26
TPSA:	110.43	NumAromaticRings:	1