GD093687

Name:

None

Formula:

C18H20O12N2

Smiles:

CC(=O)OC[C@H]1O[C@@H](N2C(=O)NC(=O)[C@@H]3[C@H]4OC(=O)O[C@@H]4[C@@H]32)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1NC(=O)C2C(N1)C1OC(=O)OC12

Sugarmoiety:

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

Other Identifiers

• ZINC000104196792

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

AD40436

Formula: C7H6O5N2

Smiles:

O=C1NC(=O)C2C(N1)C1OC(=O)OC12

HBA:	7	RingCount:	3
HBD:	2	FractionCSP3:	0.57
AlogP:	-1.27	Num_rotatable_bonds:	0
MolWt:	198.13	Num_heavy_atoms:	14
TPSA:	93.73	NumAromaticRings:	0