GD019549

Name:

None

Formula:

C27H45O20N3S

Smiles:

OC[C@@H]1O[C@H](n2cc(CS[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O

Aglycone:

SCC1=C[N]N=N1

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL508204

AD00030

Formula: C3H4N3S

Smiles:

SCC1=C[N]N=N1

HBA:	3	RingCount:	1
HBD:	0	FractionCSP3:	0.33
AlogP:	0.74	Num_rotatable_bonds:	1
MolWt:	114.15	Num_heavy_atoms:	7
TPSA:	38.82	NumAromaticRings:	0