GD021189

Name:

None

Formula:

C31H40O10N2

Smiles:

CCCCCCOc1ccc2c(c1)CCc1cnn([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c1-2

Aglycone:

CCCCCCOc1ccc2c(c1)CCC1=C2[N]N=C1.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL3251835

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD14517

Formula: C17H21ON2

Smiles:

CCCCCCOc1ccc2c(c1)CCC1=C2[N]N=C1

HBA:	3	RingCount:	3
HBD:	0	FractionCSP3:	0.47
AlogP:	3.91	Num_rotatable_bonds:	6
MolWt:	269.37	Num_heavy_atoms:	20
TPSA:	35.69	NumAromaticRings:	1