GD019925

Name:

None

Formula:

C57H84O17N2S

Smiles:

C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CNS(=O)(=O)c7cccc8c(N(C)C)cccc78)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.CNS(=O)(=O)c1cccc2c(N(C)C)cccc12

Sugarmoiety:

CC1OC(OC2C(O)OC(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL393598

AD00005

Formula: C27H42O3

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	5.71	Num_rotatable_bonds:	0
MolWt:	414.63	Num_heavy_atoms:	30
TPSA:	38.69	NumAromaticRings:	0

AD13833

Formula: C13H16O2N2S

Smiles:

CNS(=O)(=O)c1cccc2c(N(C)C)cccc12

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.23
AlogP:	1.81	Num_rotatable_bonds:	3
MolWt:	264.35	Num_heavy_atoms:	18
TPSA:	49.41	NumAromaticRings:	2