GD129223

Name:

[3,4,5-tris(acetyloxy)-6-[(3-oxo-2-phenyl-5-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]sulfanyl}-2,3-dihydropyridazin-4-yl)sulfanyl]oxan-2-yl]methyl acetate

Formula:

C38H44O19N2S2

Smiles:

CC(=O)OCC1OC(Sc2cnn(-c3ccccc3)c(=O)c2SC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.O=c1c(S)c(S)cnn1-c1ccccc1

Sugarmoiety:

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

Other Identifiers

• CNP0204169

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

AD52351

Formula: C10H8ON2S2

Smiles:

O=c1c(S)c(S)cnn1-c1ccccc1

HBA:	3	RingCount:	2
HBD:	0	FractionCSP3:	0.0
AlogP:	1.81	Num_rotatable_bonds:	1
MolWt:	236.32	Num_heavy_atoms:	15
TPSA:	34.89	NumAromaticRings:	2