GD017130

Name:

None

Formula:

C60H98O33N2S2

Smiles:

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

Aglycone:

CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)OC.CCCCCC(=O)OC.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

COC1C(O)C(O)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

• CHEMBL1206116

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

AD00130

Formula: C6H12O2

Smiles:

CCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.83
AlogP:	1.65	Num_rotatable_bonds:	4
MolWt:	116.16	Num_heavy_atoms:	8
TPSA:	37.3	NumAromaticRings:	0

AD02869

Formula: C7H14O2

Smiles:

CCCCCC(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.86
AlogP:	1.74	Num_rotatable_bonds:	4
MolWt:	130.19	Num_heavy_atoms:	9
TPSA:	26.3	NumAromaticRings:	0