GD133792

Name:

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

Formula:

C54H64O34

Smiles:

CCc1c(O)c2c(c(O)c1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)C(=O)C(OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)=C(OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)C2=O

Aglycone:

CCc1c(O)c(O)c2c(c1O)C(=O)C(O)=C(O)C2=O.COC(C)=O.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1OOC(O)OC1O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0226047

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

AD54134

Formula: C12H10O7

Smiles:

CCc1c(O)c(O)c2c(c1O)C(=O)C(O)=C(O)C2=O

HBA:	7	RingCount:	2
HBD:	5	FractionCSP3:	0.17
AlogP:	1.07	Num_rotatable_bonds:	1
MolWt:	266.2	Num_heavy_atoms:	19
TPSA:	135.29	NumAromaticRings:	1