GD106548

Name:

None

Formula:

C35H44O19N2

Smiles:

CC(=O)N[C@@H]1[C@H](Oc2ccccc2C(=O)O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.O=C(O)c1ccccc1O

Sugarmoiety:

CC(=O)NC1C(O)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O.CC(=O)NC1C(O)OC(O)OC1OC(C)=O

Other Identifiers

• ZINC000216306117

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

AD03549

Formula: C7H6O3

Smiles:

O=C(O)c1ccccc1O

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	1.09	Num_rotatable_bonds:	1
MolWt:	138.12	Num_heavy_atoms:	10
TPSA:	57.53	NumAromaticRings:	1