GD015647

Name:

None

Formula:

C86H155O19N3S

Smiles:

CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC(=O)NS(=O)(=O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](OC(C)C)[C@H]2OC(C)C)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCC

Aglycone:

CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)OC.COS(=O)(=O)NC(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

CC(C)OC1C(O)OC(O)C1OC(C)C.OCC1OC(O)C(O)C(O)O1

Other Identifiers

• CHEMBL2303758

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

AD00263

Formula: C16H32O2

Smiles:

CCCCCCCCCCCCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.94
AlogP:	5.55	Num_rotatable_bonds:	14
MolWt:	256.43	Num_heavy_atoms:	18
TPSA:	37.3	NumAromaticRings:	0

AD03475

Formula: C17H34O2

Smiles:

CCCCCCCCCCCCCCCC(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.94
AlogP:	5.64	Num_rotatable_bonds:	14
MolWt:	270.46	Num_heavy_atoms:	19
TPSA:	26.3	NumAromaticRings:	0

AD06710

Formula: C2H5O5NS

Smiles:

COS(=O)(=O)NC(=O)O

HBA:	6	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	-0.85	Num_rotatable_bonds:	2
MolWt:	155.13	Num_heavy_atoms:	9
TPSA:	92.7	NumAromaticRings:	0