GD016622

Name:

None

Formula:

C32H44O8N2

Smiles:

CC(C)[C@H](C)C(=O)NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](Oc1ccc(CCc2ccccc2)cc1)C(=O)NC(=O)[C@H](C)C(C)C

Aglycone:

CC(C)C(C)C(N)=O.CC(C)C(C)C(N)=O.c1ccc(CCc2ccccc2)cc1

Sugarmoiety:

O=C(O)C(O)C(O)C(O)C(OO)C(=O)O

Other Identifiers

• CHEMBL1161733

AD01747

Formula: C14H14

Smiles:

c1ccc(CCc2ccccc2)cc1

HBA:	0	RingCount:	2
HBD:	0	FractionCSP3:	0.14
AlogP:	3.47	Num_rotatable_bonds:	3
MolWt:	182.27	Num_heavy_atoms:	14
TPSA:	0.0	NumAromaticRings:	2

AD02890

Formula: C6H13ON

Smiles:

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

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.83
AlogP:	0.76	Num_rotatable_bonds:	2
MolWt:	115.18	Num_heavy_atoms:	8
TPSA:	43.09	NumAromaticRings:	0