GD108051

Name:

[4,5-bis(acetyloxy)-6-(quinolin-8-ylsulfanyl)-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

Formula:

C35H41O17NS

Smiles:

CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Sc3cccc4cccnc34)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.Sc1cccc2cccnc12

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000085888651
• CNP0310070

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

AD00844

Formula: C9H7NS

Smiles:

Sc1cccc2cccnc12

HBA:	1	RingCount:	2
HBD:	0	FractionCSP3:	0.0
AlogP:	2.52	Num_rotatable_bonds:	0
MolWt:	161.23	Num_heavy_atoms:	11
TPSA:	12.89	NumAromaticRings:	2