GD003306

Name:

None

Formula:

C24H29O12N3S

Smiles:

CSc1nc2c(c(O)c(C)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C

Aglycone:

COC(C)=O.CSc1nc2[nH]c(=O)c(C)c(O)c2c(=O)n1C

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL1985416

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

AD03013

Formula: C10H11O3N3S

Smiles:

CSc1nc2[nH]c(=O)c(C)c(O)c2c(=O)n1C

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.3
AlogP:	0.36	Num_rotatable_bonds:	1
MolWt:	253.28	Num_heavy_atoms:	17
TPSA:	87.98	NumAromaticRings:	2