GD028998

Name:

None

Formula:

C60H86O27N2S3

Smiles:

CN(C)c1cccc2c(S(=O)(=O)NCCSCCCCCS[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](COCc8ccc9ccccc9c8)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cccc12

Aglycone:

CN(C)c1cccc2c(S(=O)(=O)NCCSCCCCCS)cccc12.COCc1ccc2ccccc2c1

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(O)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL1934616

AD01842

Formula: C12H12O

Smiles:

COCc1ccc2ccccc2c1

HBA:	1	RingCount:	2
HBD:	0	FractionCSP3:	0.17
AlogP:	2.99	Num_rotatable_bonds:	2
MolWt:	172.23	Num_heavy_atoms:	13
TPSA:	9.23	NumAromaticRings:	2

AD02590

Formula: C19H28O2N2S3

Smiles:

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

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.47
AlogP:	4.02	Num_rotatable_bonds:	11
MolWt:	412.65	Num_heavy_atoms:	26
TPSA:	49.41	NumAromaticRings:	2