GD127530

Name:

[3,4,5-tris(acetyloxy)-6-{[5,8-bis(acetyloxy)-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:

C42H46O24S2

Smiles:

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

Aglycone:

CC(=O)Oc1ccc(OC(C)=O)c2c1C(=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

• CNP0115376

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

AD51645

Formula: C14H10O6S2

Smiles:

CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)C(S)=C(S)C2=O

HBA:	6	RingCount:	2
HBD:	0	FractionCSP3:	0.14
AlogP:	1.99	Num_rotatable_bonds:	2
MolWt:	338.36	Num_heavy_atoms:	22
TPSA:	86.74	NumAromaticRings:	1