GD016870

Name:

None

Formula:

C30H42O10N2

Smiles:

CC(C)[C@H](C)C(=O)NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](Oc1ccc(C2=C(O)C(=O)CCC2)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.O=C1CCCC(c2ccccc2)=C1O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1161741

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

AD12095

Formula: C12H12O2

Smiles:

O=C1CCCC(c2ccccc2)=C1O

HBA:	2	RingCount:	2
HBD:	1	FractionCSP3:	0.25
AlogP:	2.71	Num_rotatable_bonds:	1
MolWt:	188.23	Num_heavy_atoms:	14
TPSA:	37.3	NumAromaticRings:	1