GD146633

Name:

[4,5-bis(acetyloxy)-6-{[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-{[5,7-bis(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}oxan-3-yl]oxy}-3-hydroxyoxan-2-yl]methyl acetate

Formula:

C47H52O27

Smiles:

CC(=O)OCC1OC(OC2C(OC3C(=O)c4c(OC(C)=O)cc(OC(C)=O)cc4OC3c3ccc(OC(C)=O)c(OC(C)=O)c3)OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O

Aglycone:

CC(=O)Oc1cc(OC(C)=O)c2c(c1)OC(c1ccc(OC(C)=O)c(OC(C)=O)c1)C(O)C2=O.COC(C)=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0358280

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

AD58778

Formula: C23H20O11

Smiles:

CC(=O)Oc1cc(OC(C)=O)c2c(c1)OC(c1ccc(OC(C)=O)c(OC(C)=O)c1)C(O)C2=O

HBA:	11	RingCount:	3
HBD:	1	FractionCSP3:	0.26
AlogP:	2.07	Num_rotatable_bonds:	5
MolWt:	472.4	Num_heavy_atoms:	34
TPSA:	151.73	NumAromaticRings:	2