GD098002

Name:

None

Formula:

C22H27O10N3

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cc(C3=CCN(C(C)=O)CC3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC(=O)N1CC=C(c2c[nH]c(=O)[nH]c2=O)CC1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001241971655

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

AD41695

Formula: C11H13O3N3

Smiles:

CC(=O)N1CC=C(c2c[nH]c(=O)[nH]c2=O)CC1

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.36
AlogP:	-0.3	Num_rotatable_bonds:	1
MolWt:	235.24	Num_heavy_atoms:	17
TPSA:	86.03	NumAromaticRings:	1