GD105853

Name:

None

Formula:

C23H33O14N6

Smiles:

C/C=C1\CN(C(=O)[C@H](NC(=O)[C@@H]([NH3+])[C@H](O)[C@@H](O)COC(N)=O)[C@H]2O[C@@H](n3cc(CO)c(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H]1C(=O)O

Aglycone:

CC=C1CN(C(=O)CNC(=O)C([NH3+])C(O)C(O)COC(N)=O)C1C(=O)O.O=c1[nH]cc(CO)c(=O)[nH]1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• ZINC000100072152

AD00386

Formula: C5H6O3N2

Smiles:

O=c1[nH]cc(CO)c(=O)[nH]1

HBA:	5	RingCount:	1
HBD:	3	FractionCSP3:	0.2
AlogP:	-1.44	Num_rotatable_bonds:	1
MolWt:	142.11	Num_heavy_atoms:	10
TPSA:	85.95	NumAromaticRings:	1

AD44081

Formula: C14H23O8N4

Smiles:

CC=C1CN(C(=O)CNC(=O)C([NH3+])C(O)C(O)COC(N)=O)C1C(=O)O

HBA:	12	RingCount:	1
HBD:	9	FractionCSP3:	0.57
AlogP:	-4.23	Num_rotatable_bonds:	8
MolWt:	375.36	Num_heavy_atoms:	26
TPSA:	207.13	NumAromaticRings:	0