GD109219

Name:

None

Formula:

C31H35O10N3

Smiles:

CC(=O)N[C@H]1[C@H](Oc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C(NCCc1c[nH]c2ccccc12)c1ccc(O)cc1

Sugarmoiety:

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000102322439

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

AD44529

Formula: C17H16O2N2

Smiles:

O=C(NCCc1c[nH]c2ccccc12)c1ccc(O)cc1

HBA:	4	RingCount:	3
HBD:	3	FractionCSP3:	0.12
AlogP:	2.85	Num_rotatable_bonds:	4
MolWt:	280.33	Num_heavy_atoms:	21
TPSA:	65.12	NumAromaticRings:	3