GD105717

Name:

None

Formula:

C27H32O17N4

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2c(=O)[nH]c3c2c(=O)[nH]c(=O)n3[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1

Sugarmoiety:

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

Other Identifiers

• ZINC000334157900

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

AD25423

Formula: C5H4O3N4

Smiles:

O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1

HBA:	7	RingCount:	2
HBD:	4	FractionCSP3:	0.0
AlogP:	-1.77	Num_rotatable_bonds:	0
MolWt:	168.11	Num_heavy_atoms:	12
TPSA:	114.37	NumAromaticRings:	2