GD000601

Name:

None

Formula:

C42H54O20N8S2

Smiles:

CSc1nc(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(SC)n(C)c2=O)c(=O)n1C

Aglycone:

COC(C)=O.COC(C)=O.CSc1nc(N)c(N=CC=Nc2c(N)nc(SC)n(C)c2=O)c(=O)n1C

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

• CHEMBL1993211

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

AD00653

Formula: C14H18O2N8S2

Smiles:

CSc1nc(N)c(N=CC=Nc2c(N)nc(SC)n(C)c2=O)c(=O)n1C

HBA:	10	RingCount:	2
HBD:	4	FractionCSP3:	0.29
AlogP:	0.59	Num_rotatable_bonds:	5
MolWt:	394.49	Num_heavy_atoms:	26
TPSA:	146.54	NumAromaticRings:	2