GD009721

Name:

None

Formula:

C36H52O19N3Cl

Smiles:

CC(=O)OCC1OC(N(CC(C)C)C(=O)N(CCCl)N=O)C(OC(C)=O)C(OC(C)=O)C1COCC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.COCC1C(COC(C)=O)OC(N(CC(C)C)C(=O)N(CCCl)N=O)C(OC(C)=O)C1OC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL344598

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

AD07599

Formula: C22H34O10N3Cl

Smiles:

COCC1C(COC(C)=O)OC(N(CC(C)C)C(=O)N(CCCl)N=O)C(OC(C)=O)C1OC(C)=O

HBA:	13	RingCount:	1
HBD:	0	FractionCSP3:	0.81
AlogP:	1.7	Num_rotatable_bonds:	12
MolWt:	523.97	Num_heavy_atoms:	35
TPSA:	150.34	NumAromaticRings:	0