GD105957

Name:

None

Formula:

C29H42O18N2

Smiles:

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

Aglycone:

CC(O)C(=O)O.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)NC1OOC(O)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2NC(C)=O)C1O

Other Identifiers

• ZINC000077269457

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

AD00056

Formula: C3H6O3

Smiles:

CC(O)C(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.67
AlogP:	-0.55	Num_rotatable_bonds:	1
MolWt:	90.08	Num_heavy_atoms:	6
TPSA:	57.53	NumAromaticRings:	0