GD013736

Name:

None

Formula:

C30H39O10N3

Smiles:

CC(C)[C@H](C)C(=O)NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](Oc1ccc(-c2cccc([N+](=O)[O-])c2)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=[N+]([O-])c1cccc(-c2ccccc2)c1

Sugarmoiety:

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

Other Identifiers

• CHEMBL610244

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

AD10204

Formula: C12H9O2N

Smiles:

O=[N+]([O-])c1cccc(-c2ccccc2)c1

HBA:	3	RingCount:	2
HBD:	0	FractionCSP3:	0.0
AlogP:	3.26	Num_rotatable_bonds:	2
MolWt:	199.21	Num_heavy_atoms:	15
TPSA:	43.14	NumAromaticRings:	2