GD141129

Name:

[3,4,5-tris(acetyloxy)-6-[(7-tert-butyl-5,8-dihydroxy-1,4-dioxo-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]sulfanyl}-1,4-dihydronaphthalen-2-yl)sulfanyl]oxan-2-yl]methyl acetate

Formula:

C42H50O22S2

Smiles:

CC(=O)OCC1OC(SC2=C(SC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(=O)c3c(O)c(C(C)(C)C)cc(O)c3C2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(C)(C)c1cc(O)c2c(c1O)C(=O)C(S)=C(S)C2=O.COC(C)=O.COC(C)=O

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

• CNP0319138

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

AD56879

Formula: C14H14O4S2

Smiles:

CC(C)(C)c1cc(O)c2c(c1O)C(=O)C(S)=C(S)C2=O

HBA:	4	RingCount:	2
HBD:	2	FractionCSP3:	0.29
AlogP:	2.85	Num_rotatable_bonds:	0
MolWt:	310.4	Num_heavy_atoms:	20
TPSA:	74.6	NumAromaticRings:	1