GD151462

Name:

None

Formula:

C38H52O23N2

Smiles:

CC(=O)OCC1OC(OC2C(O)C(CO)OC(Oc3ccccc3[NH+]([O-])O)C2N=C(C)O)C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.[O-][NH+](O)c1ccccc1O

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(OC3C(O)C(CO)OC(O)C3N=C(C)O)OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0472247

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

AD45945

Formula: C6H7O3N

Smiles:

[O-][NH+](O)c1ccccc1O

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.2	Num_rotatable_bonds:	1
MolWt:	141.13	Num_heavy_atoms:	10
TPSA:	67.96	NumAromaticRings:	1