GD028616

Name:

None

Formula:

C27H31O12N3S

Smiles:

CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=C(C)c2c(C)c3ccc(O)cc3oc2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=NNC(N)=S)c1c(C)c2ccc(O)cc2oc1=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4740620

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

AD18679

Formula: C13H13O3N3S

Smiles:

CC(=NNC(N)=S)c1c(C)c2ccc(O)cc2oc1=O

HBA:	6	RingCount:	2
HBD:	4	FractionCSP3:	0.15
AlogP:	1.36	Num_rotatable_bonds:	2
MolWt:	291.33	Num_heavy_atoms:	20
TPSA:	100.85	NumAromaticRings:	2