GD103800

Name:

None

Formula:

C22H28O9N4

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H]3CC[C@H](C#N)CC3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.N#CC1CCC(Nc2c[nH]c(=O)[nH]c2=O)CC1

Sugarmoiety:

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

Other Identifiers

• ZINC001167847981

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

AD43888

Formula: C11H14O2N4

Smiles:

N#CC1CCC(Nc2c[nH]c(=O)[nH]c2=O)CC1

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.55
AlogP:	0.56	Num_rotatable_bonds:	2
MolWt:	234.26	Num_heavy_atoms:	17
TPSA:	101.54	NumAromaticRings:	1