GD099398

Name:

None

Formula:

C21H27O11N3

Smiles:

C=C(C)C(=O)OCCNc1cn([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=C(C)C(=O)OCCNc1c[nH]c(=O)[nH]c1=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001168077133

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

AD42271

Formula: C10H13O4N3

Smiles:

C=C(C)C(=O)OCCNc1c[nH]c(=O)[nH]c1=O

HBA:	7	RingCount:	1
HBD:	3	FractionCSP3:	0.3
AlogP:	-0.41	Num_rotatable_bonds:	5
MolWt:	239.23	Num_heavy_atoms:	17
TPSA:	104.05	NumAromaticRings:	1