GD034996

Name:

None

Formula:

C36H36O13NClS

Smiles:

CC(=O)OC[C@@H]1O[C@H](Sc2ccc(-c3cc(=O)c4c(O)cc(O)c(C5=CCN(C)CC5)c4o3)c(Cl)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(S)cc4Cl)oc23)CC1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4777190

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

AD22181

Formula: C22H18O4NClS

Smiles:

CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(S)cc4Cl)oc23)CC1

HBA:	5	RingCount:	4
HBD:	2	FractionCSP3:	0.19
AlogP:	4.53	Num_rotatable_bonds:	2
MolWt:	415.9	Num_heavy_atoms:	28
TPSA:	73.91	NumAromaticRings:	3