GD110288

Name:

None

Formula:

C29H29O11N3S

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2nc(/C=C\c3ccco3)c(=O)n(-c3ccccc3)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=c1c(C=Cc2ccco2)n[nH]c(=S)n1-c1ccccc1

Sugarmoiety:

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

Other Identifiers

• ZINC000005439800

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

AD44625

Formula: C15H11O2N3S

Smiles:

O=c1c(C=Cc2ccco2)n[nH]c(=S)n1-c1ccccc1

HBA:	5	RingCount:	3
HBD:	1	FractionCSP3:	0.0
AlogP:	3.05	Num_rotatable_bonds:	3
MolWt:	297.34	Num_heavy_atoms:	21
TPSA:	63.82	NumAromaticRings:	3