GD020869

Name:

None

Formula:

C28H40O10N2

Smiles:

COC(=O)C=Cc1ccc(O[C@H](C(=O)NC(=O)[C@H](C)C(C)C)[C@H](O)[C@H](O)[C@H](O)C(=O)NC(=O)[C@H](C)C(C)C)cc1

Aglycone:

CC(C)C(C)C(N)=O.CC(C)C(C)C(N)=O.COC(=O)C=Cc1ccccc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL1161737

AD00648

Formula: C10H10O2

Smiles:

COC(=O)C=Cc1ccccc1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.1
AlogP:	1.87	Num_rotatable_bonds:	2
MolWt:	162.19	Num_heavy_atoms:	12
TPSA:	26.3	NumAromaticRings:	1

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