GD027663

Name:

None

Formula:

C44H79O21N5S

Smiles:

CC(C)(C)OC(=O)NCC1OC(OC2C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C(OC3OC(CS(C)(=O)=O)C(O)C(NC(=O)OC(C)(C)C)C3O)C2O)C(NC(=O)OC(C)(C)C)C(O)C1O

Aglycone:

CC(C)(C)OC(=O)NC1CC(NC(=O)OC(C)(C)C)C(O)C(O)C1O.CC(C)(C)OC(N)=O.CC(C)(C)OC(N)=O.CNC(=O)OC(C)(C)C.CS(C)(=O)=O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)OC(O)C1O

Other Identifiers

• CHEMBL216403

AD00116

Formula: C2H6O2S

Smiles:

CS(C)(=O)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	-0.34	Num_rotatable_bonds:	0
MolWt:	94.13	Num_heavy_atoms:	5
TPSA:	34.14	NumAromaticRings:	0

AD01170

Formula: C16H30O7N2

Smiles:

CC(C)(C)OC(=O)NC1CC(NC(=O)OC(C)(C)C)C(O)C(O)C1O

HBA:	9	RingCount:	1
HBD:	5	FractionCSP3:	0.88
AlogP:	0.26	Num_rotatable_bonds:	2
MolWt:	362.42	Num_heavy_atoms:	25
TPSA:	137.35	NumAromaticRings:	0

AD01171

Formula: C5H11O2N

Smiles:

CC(C)(C)OC(N)=O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.8
AlogP:	0.88	Num_rotatable_bonds:	0
MolWt:	117.15	Num_heavy_atoms:	8
TPSA:	52.32	NumAromaticRings:	0

AD01173

Formula: C6H13O2N

Smiles:

CNC(=O)OC(C)(C)C

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.83
AlogP:	1.14	Num_rotatable_bonds:	0
MolWt:	131.17	Num_heavy_atoms:	9
TPSA:	38.33	NumAromaticRings:	0