GD103801

Name:

None

Formula:

C20H27O9N3

Smiles:

C=CCCCNc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=O

Aglycone:

C=CCCCNc1c[nH]c(=O)[nH]c1=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001170302129

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

AD43889

Formula: C9H13O2N3

Smiles:

C=CCCCNc1c[nH]c(=O)[nH]c1=O

HBA:	5	RingCount:	1
HBD:	3	FractionCSP3:	0.33
AlogP:	0.44	Num_rotatable_bonds:	5
MolWt:	195.22	Num_heavy_atoms:	14
TPSA:	77.75	NumAromaticRings:	1