GD031596

Name:

None

Formula:

C28H36O13N2

Smiles:

COC(CO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O

Aglycone:

COC(C)=O.COC(CO)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL3246879

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

AD20341

Formula: C14H18O4N2

Smiles:

COC(CO)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O

HBA:	6	RingCount:	3
HBD:	1	FractionCSP3:	0.57
AlogP:	-0.7	Num_rotatable_bonds:	5
MolWt:	278.31	Num_heavy_atoms:	20
TPSA:	69.62	NumAromaticRings:	0