GD110361

Name:

None

Formula:

C32H35O12N3S

Smiles:

COc1ccc(Cc2nn([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)n(-c3ccc(OC)cc3)c2=O)cc1

Aglycone:

COC(C)=O.COc1ccc(Cc2n[nH]c(=S)n(-c3ccc(OC)cc3)c2=O)cc1

Sugarmoiety:

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

Other Identifiers

• ZINC000082186650

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

AD08831

Formula: C18H17O3N3S

Smiles:

COc1ccc(Cc2n[nH]c(=S)n(-c3ccc(OC)cc3)c2=O)cc1

HBA:	6	RingCount:	3
HBD:	1	FractionCSP3:	0.17
AlogP:	2.9	Num_rotatable_bonds:	5
MolWt:	355.42	Num_heavy_atoms:	25
TPSA:	69.14	NumAromaticRings:	3