GD022186

Name:

None

Formula:

C43H45O17NS

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(OS(=O)(=O)c4ccc(C)cc4)c(NC(=O)c4ccc5c(c4)CCC(C)(C)O5)c(=O)oc3c2C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.Cc1ccc(S(=O)(=O)Oc2c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc3c(C)c(O)ccc23)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3290526

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

AD15075

Formula: C29H27O8NS

Smiles:

Cc1ccc(S(=O)(=O)Oc2c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc3c(C)c(O)ccc23)cc1

HBA:	9	RingCount:	5
HBD:	2	FractionCSP3:	0.24
AlogP:	5.24	Num_rotatable_bonds:	5
MolWt:	549.6	Num_heavy_atoms:	39
TPSA:	132.14	NumAromaticRings:	4