GD129170

Name:

methyl 3,4,5-tris(acetyloxy)-6-{[4,5-bis(acetyloxy)-2-{[3,5-bis(acetyloxy)-2-[1,2-bis(acetyloxy)ethyl]-6-methoxyoxan-4-yl]oxy}-6-[1,2-bis(acetyloxy)ethyl]oxan-3-yl]oxy}oxane-2-carboxylate

Formula:

C44H60O30

Smiles:

COC(=O)C1OC(OC2C(OC3C(OC(C)=O)C(OC)OC(C(COC(C)=O)OC(C)=O)C3OC(C)=O)OC(C(COC(C)=O)OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OCCOC(C)=O.CC(=O)OCCOC(C)=O

Sugarmoiety:

COC(=O)C1OC(OC2C(OC3C(OC(C)=O)C(O)OC(OC)C3OC(C)=O)OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0263306

AD05458

Formula: C6H10O4

Smiles:

CC(=O)OCCOC(C)=O

HBA:	4	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.11	Num_rotatable_bonds:	3
MolWt:	146.14	Num_heavy_atoms:	10
TPSA:	52.6	NumAromaticRings:	0