GD099754

Name:

None

Formula:

C22H27O12N

Smiles:

COc1cc(C(=O)O)ccc1O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O

Aglycone:

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

Sugarmoiety:

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000062725151

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

AD08832

Formula: C8H8O4

Smiles:

COc1cc(C(=O)O)ccc1O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.12
AlogP:	1.1	Num_rotatable_bonds:	2
MolWt:	168.15	Num_heavy_atoms:	12
TPSA:	66.76	NumAromaticRings:	1