GD106540

Name:

None

Formula:

C25H33O14N

Smiles:

CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)N(CCO)CCO)cc2O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C(c1ccc(O)c(O)c1)N(CCO)CCO

Sugarmoiety:

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

Other Identifiers

• ZINC000006073901

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

AD44145

Formula: C11H15O5N

Smiles:

O=C(c1ccc(O)c(O)c1)N(CCO)CCO

HBA:	6	RingCount:	1
HBD:	4	FractionCSP3:	0.36
AlogP:	-0.48	Num_rotatable_bonds:	5
MolWt:	241.24	Num_heavy_atoms:	17
TPSA:	101.23	NumAromaticRings:	1