GD092512

Name:

None

Formula:

C18H23O10N3

Smiles:

CCOC(=O)Nc1ccn([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(=O)n1

Aglycone:

CCOC(=O)Nc1cc[nH]c(=O)n1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000005119167

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

AD40340

Formula: C7H9O3N3

Smiles:

CCOC(=O)Nc1cc[nH]c(=O)n1

HBA:	6	RingCount:	1
HBD:	2	FractionCSP3:	0.29
AlogP:	0.34	Num_rotatable_bonds:	2
MolWt:	183.17	Num_heavy_atoms:	13
TPSA:	84.08	NumAromaticRings:	1