GD109202

Name:

None

Formula:

C32H37O14N

Smiles:

COc1cc(C(=O)N[C@@H](C)[C@H]2COc3ccccc3O2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.COc1cc(C(=O)NC(C)C2COc3ccccc3O2)ccc1O

Sugarmoiety:

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

Other Identifiers

• ZINC000085867658

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

AD44526

Formula: C18H19O5N

Smiles:

COc1cc(C(=O)NC(C)C2COc3ccccc3O2)ccc1O

HBA:	6	RingCount:	3
HBD:	2	FractionCSP3:	0.28
AlogP:	2.36	Num_rotatable_bonds:	4
MolWt:	329.35	Num_heavy_atoms:	24
TPSA:	77.02	NumAromaticRings:	2