GD093683

Name:

None

Formula:

C20H25O12N3

Smiles:

CC(=O)OC[C@H]1O[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.Cn1c(=O)[nH]c(N)c(C=O)c1=O

Sugarmoiety:

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

Other Identifiers

• ZINC000005545162

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

AD40441

Formula: C6H7O3N3

Smiles:

Cn1c(=O)[nH]c(N)c(C=O)c1=O

HBA:	6	RingCount:	1
HBD:	3	FractionCSP3:	0.17
AlogP:	-1.53	Num_rotatable_bonds:	1
MolWt:	169.14	Num_heavy_atoms:	12
TPSA:	97.95	NumAromaticRings:	1