GD129296

Name:

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

Formula:

C39H44O23S2

Smiles:

CC(=O)OCC1OC(Sc2c(O)c3c(c(O)c2SC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(=O)C(O)=C(C)C3=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC1=C(O)C(=O)c2c(O)c(S)c(S)c(O)c2C1=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

• CNP0363941

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

AD52386

Formula: C11H8O5S2

Smiles:

CC1=C(O)C(=O)c2c(O)c(S)c(S)c(O)c2C1=O

HBA:	5	RingCount:	2
HBD:	3	FractionCSP3:	0.09
AlogP:	1.89	Num_rotatable_bonds:	0
MolWt:	284.31	Num_heavy_atoms:	18
TPSA:	94.83	NumAromaticRings:	1