GD115910

Name:

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

Formula:

C62H74O40

Smiles:

CC(=O)OCC1OC(OC2C(COC(C)=O)OC(OC3=C(OC4OC(COC(C)=O)C(OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)C(OC(C)=O)C4OC(C)=O)C(=O)c4c(O)ccc(O)c4C3=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.COC(C)=O.COC(C)=O.O=C1C(O)=C(O)C(=O)c2c(O)ccc(O)c21

Sugarmoiety:

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

• CNP0385083

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

AD45933

Formula: C10H6O6

Smiles:

O=C1C(O)=C(O)C(=O)c2c(O)ccc(O)c21

HBA:	6	RingCount:	2
HBD:	4	FractionCSP3:	0.0
AlogP:	0.8	Num_rotatable_bonds:	0
MolWt:	222.15	Num_heavy_atoms:	16
TPSA:	115.06	NumAromaticRings:	1