GD028537

Name:

None

Formula:

C40H54O33N2S2

Smiles:

COC1C(NC(C)=O)C(OC2C(C(=O)[O-])OC(OC3C(NC(C)=O)C(OC4C(C(=O)[O-])OC(C)C(OC(C)=O)C4O)OC(COC(C)=O)C3OS(=O)(=O)[O-])C(OC(C)=O)C2OC(C)=O)OC(COC(C)=O)C1OS(=O)(=O)[O-]

Aglycone:

COC(C)=O.COC(C)=O.O=S(=O)([O-])O.O=S(=O)([O-])O

Sugarmoiety:

COC1C(O)C(COC(C)=O)OC(OC2C(C(=O)O)OC(OC3C(O)C(O)OC(OC4C(O)OC(C)OC4C(=O)O)C3NC(C)=O)C(OC(C)=O)C2OC(C)=O)C1NC(C)=O

Other Identifiers

• CHEMBL215640

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

AD00426

Formula: HO4S

Smiles:

O=S(=O)([O-])O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.0
AlogP:	-1.0	Num_rotatable_bonds:	0
MolWt:	97.07	Num_heavy_atoms:	5
TPSA:	77.43	NumAromaticRings:	0