GD011788

Name:

None

Formula:

C50H68O43N2S2

Smiles:

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

Aglycone:

COC(=O)CCC(=O)O.COC(=O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

COC1C(O)C(CO)OC(OC2C(C(=O)O)OC(OC3C(O)C(O)OC(OC4C(O)OC(C)OC4C(=O)O)C3NC(C)=O)C(O)C2O)C1NC(C)=O

Other Identifiers

• CHEMBL1207467

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0

AD05635

Formula: C4H6O4

Smiles:

O=C(O)CCC(=O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	-0.06	Num_rotatable_bonds:	3
MolWt:	118.09	Num_heavy_atoms:	8
TPSA:	74.6	NumAromaticRings:	0

AD08961

Formula: C5H8O4

Smiles:

COC(=O)CCC(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.6
AlogP:	0.02	Num_rotatable_bonds:	3
MolWt:	132.12	Num_heavy_atoms:	9
TPSA:	63.6	NumAromaticRings:	0