GD021132

Name:

None

Formula:

C36H48O20N6

Smiles:

CCOC(=O)NC(=O)c1cn(C2OC(COC(=O)CCCCCCCCC(=O)OCC3OC(n4cc(C(=O)NC(=O)OCC)c(=O)[nH]c4=O)C(O)C3O)C(O)C2O)c(=O)[nH]c1=O

Aglycone:

CCOC(=O)NC(=O)c1c[nH]c(=O)[nH]c1=O.CCOC(=O)NC(=O)c1c[nH]c(=O)[nH]c1=O.COC(=O)CCCCCCCCC(=O)OC

Sugarmoiety:

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL1992118

AD03328

Formula: C12H22O4

Smiles:

COC(=O)CCCCCCCCC(=O)OC

HBA:	4	RingCount:	0
HBD:	0	FractionCSP3:	0.83
AlogP:	2.45	Num_rotatable_bonds:	9
MolWt:	230.3	Num_heavy_atoms:	16
TPSA:	52.6	NumAromaticRings:	0

AD13721

Formula: C8H9O5N3

Smiles:

CCOC(=O)NC(=O)c1c[nH]c(=O)[nH]c1=O

HBA:	8	RingCount:	1
HBD:	3	FractionCSP3:	0.25
AlogP:	-1.05	Num_rotatable_bonds:	2
MolWt:	227.18	Num_heavy_atoms:	16
TPSA:	121.12	NumAromaticRings:	1