GD106572

Name:

None

Formula:

C28H31O14N3

Smiles:

COC(=O)[C@H]1C=C[C@@H](O[C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)n2c(=O)n(-c3ccccc3)c(=O)n21

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• ZINC000072134142

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

AD02606

Formula: C14H13O5N3

Smiles:

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

HBA:	8	RingCount:	3
HBD:	1	FractionCSP3:	0.21
AlogP:	-0.42	Num_rotatable_bonds:	2
MolWt:	303.27	Num_heavy_atoms:	22
TPSA:	95.46	NumAromaticRings:	2