GD133126

Name:

7-(acetyloxy)-2-[4-(acetyloxy)phenyl]-4-oxo-3-{[3,4,5-tris(acetyloxy)-6-({[3,5-bis(acetyloxy)-6-methyl-4-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-5-yl acetate

Formula:

C55H62O30

Smiles:

CC(=O)Oc1ccc(-c2oc3cc(OC(C)=O)cc(OC(C)=O)c3c(=O)c2OC2OC(COC3OC(C)C(OC(C)=O)C(OC4OC(C)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1

Aglycone:

CC(=O)Oc1ccc(-c2oc3cc(OC(C)=O)cc(OC(C)=O)c3c(=O)c2O)cc1

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(OC(C)=O)C(C)OC(OCC3OC(O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0320082

AD08684

Formula: C21H16O9

Smiles:

CC(=O)Oc1ccc(-c2oc3cc(OC(C)=O)cc(OC(C)=O)c3c(=O)c2O)cc1

HBA:	9	RingCount:	3
HBD:	1	FractionCSP3:	0.14
AlogP:	2.94	Num_rotatable_bonds:	4
MolWt:	412.35	Num_heavy_atoms:	30
TPSA:	129.34	NumAromaticRings:	3