GD034189

Name:

None

Formula:

C33H42O13N2

Smiles:

COc1ccc2cc(C(C)C(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=N[C@H](CCCN)C(=O)O)OC(C)=O)ccc2c1

Aglycone:

C=NC(CCCN)C(=O)O.COc1ccc2cc(C(C)C=O)ccc2c1

Sugarmoiety:

CC(=O)OC(O)C(OC(C)=O)C(OC(C)=O)C(COO)OC(C)=O

Other Identifiers

• CHEMBL2262331

AD05269

Formula: C14H14O2

Smiles:

COc1ccc2cc(C(C)C=O)ccc2c1

HBA:	2	RingCount:	2
HBD:	0	FractionCSP3:	0.21
AlogP:	3.15	Num_rotatable_bonds:	3
MolWt:	214.26	Num_heavy_atoms:	16
TPSA:	26.3	NumAromaticRings:	2

AD21763

Formula: C6H12O2N2

Smiles:

C=NC(CCCN)C(=O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.67
AlogP:	-0.12	Num_rotatable_bonds:	5
MolWt:	144.17	Num_heavy_atoms:	10
TPSA:	75.68	NumAromaticRings:	0