GD008035

Name:

None

Formula:

C50H78O33N2S2

Smiles:

CCCC(=O)OCC1OC(OC2C(C(=O)O)OC(OC3C(NC(C)=O)C(OC4C(C(=O)O)OC(C)C(OC(=O)CCC)C4O)OC(COC(=O)CCC)C3OS(=O)(=O)O)C(OC(=O)CCC)C2OC(=O)CCC)C(NC(C)=O)C(OC)C1OS(=O)(=O)O

Aglycone:

CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)OC.CCCC(=O)OC.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(C(=O)O)OC(C)C(O)C4O)C3NC(C)=O)C(O)C2O)C1NC(C)=O

Other Identifiers

• CHEMBL1206128

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

AD00922

Formula: C4H8O2

Smiles:

CCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.87	Num_rotatable_bonds:	2
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD01168

Formula: C5H10O2

Smiles:

CCCC(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.8
AlogP:	0.96	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	26.3	NumAromaticRings:	0