GD003301

Name:

None

Formula:

C40H50O22N8

Smiles:

COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=CC=Nc2c(NC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)nc(OC)[nH]c2=O)c(=O)[nH]1

Aglycone:

COC(C)=O.COC(C)=O.COc1nc(N)c(N=CC=Nc2c(N)nc(OC)[nH]c2=O)c(=O)[nH]1

Sugarmoiety:

CC(=O)OC1OC(O)OC(O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL1990243

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

AD03006

Formula: C12H14O4N8

Smiles:

COc1nc(N)c(N=CC=Nc2c(N)nc(OC)[nH]c2=O)c(=O)[nH]1

HBA:	12	RingCount:	2
HBD:	6	FractionCSP3:	0.17
AlogP:	-0.86	Num_rotatable_bonds:	5
MolWt:	334.3	Num_heavy_atoms:	24
TPSA:	186.72	NumAromaticRings:	2