GD036162

Name:

None

Formula:

C33H43O12N3S2

Smiles:

CO[C@@H]1O[C@H](CNC(=S)NCCN([C@H](C(=O)O)C(C)C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CNC(=S)NCCN(C(C(=O)O)C(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1

Sugarmoiety:

COC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL4291027

AD08612

Formula: C21H27O4N3S2

Smiles:

CNC(=S)NCCN(C(C(=O)O)C(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1

HBA:	7	RingCount:	2
HBD:	3	FractionCSP3:	0.33
AlogP:	2.55	Num_rotatable_bonds:	9
MolWt:	449.6	Num_heavy_atoms:	30
TPSA:	98.74	NumAromaticRings:	2