GD009606

Name:

None

Formula:

C27H40O13N2S

Smiles:

CN(C)c1cccc2c(S(=O)(=O)NCCO[C@@H]3O[C@H](C[C@H](CO)O[C@@H]4O[C@H]([C@H](O)CO)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cccc12

Aglycone:

CC(O)CO.CN(C)c1cccc2c(S(=O)(=O)NCCO)cccc12

Sugarmoiety:

OCC(CC(O)OO)OC1OC(C(O)CO)C(O)C1O

Other Identifiers

• CHEMBL239946

AD05567

Formula: C3H8O2

Smiles:

CC(O)CO

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.64	Num_rotatable_bonds:	1
MolWt:	76.09	Num_heavy_atoms:	5
TPSA:	40.46	NumAromaticRings:	0

AD07519

Formula: C14H18O3N2S

Smiles:

CN(C)c1cccc2c(S(=O)(=O)NCCO)cccc12

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.29
AlogP:	1.18	Num_rotatable_bonds:	5
MolWt:	294.38	Num_heavy_atoms:	20
TPSA:	69.64	NumAromaticRings:	2