GD030990

Name:

None

Formula:

C34H43O13N3S2

Smiles:

CC(=O)OC[C@@H]1O[C@H](NC(=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:

CC(C)C(C(=O)O)N(CCNC(N)=S)S(=O)(=O)c1ccc(-c2ccccc2)cc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4282849

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

AD20018

Formula: C20H25O4N3S2

Smiles:

CC(C)C(C(=O)O)N(CCNC(N)=S)S(=O)(=O)c1ccc(-c2ccccc2)cc1

HBA:	7	RingCount:	2
HBD:	4	FractionCSP3:	0.3
AlogP:	2.29	Num_rotatable_bonds:	9
MolWt:	435.57	Num_heavy_atoms:	29
TPSA:	112.73	NumAromaticRings:	2