GD108034

Name:

None

Formula:

C29H36O12N2

Smiles:

CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

• ZINC000070670062

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

AD40829

Formula: C15H18O3N2

Smiles:

NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.4
AlogP:	1.72	Num_rotatable_bonds:	7
MolWt:	274.32	Num_heavy_atoms:	20
TPSA:	80.47	NumAromaticRings:	1