GD011949

Name:

None

Formula:

C34H35O14N3

Smiles:

CC(=O)OCC1OC(O[C@@H]2C=C[C@H](C(=O)OCc3ccccc3)n3c(=O)n(-c4ccccc4)c(=O)n32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.O=C(OCc1ccccc1)C1C=CC(O)n2c(=O)n(-c3ccccc3)c(=O)n21

Sugarmoiety:

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

Other Identifiers

• CHEMBL1991756

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

AD09050

Formula: C20H17O5N3

Smiles:

O=C(OCc1ccccc1)C1C=CC(O)n2c(=O)n(-c3ccccc3)c(=O)n21

HBA:	8	RingCount:	4
HBD:	1	FractionCSP3:	0.15
AlogP:	1.15	Num_rotatable_bonds:	4
MolWt:	379.37	Num_heavy_atoms:	28
TPSA:	95.46	NumAromaticRings:	3