GD110815

Name:

None

Formula:

C31H32O11N2S

Smiles:

COc1ccc(/C=C2\N=C(S[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)N(c3ccccc3)C2=O)cc1

Aglycone:

COC(C)=O.COc1ccc(C=C2N=C(S)N(c3ccccc3)C2=O)cc1

Sugarmoiety:

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

Other Identifiers

• ZINC000150597345

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

AD44660

Formula: C17H14O2N2S

Smiles:

COc1ccc(C=C2N=C(S)N(c3ccccc3)C2=O)cc1

HBA:	4	RingCount:	3
HBD:	0	FractionCSP3:	0.06
AlogP:	3.37	Num_rotatable_bonds:	3
MolWt:	310.38	Num_heavy_atoms:	22
TPSA:	41.9	NumAromaticRings:	2