GD015867

Name:

None

Formula:

C49H65O21N3S

Smiles:

CO[C@H](C(=O)[C@H](O)[C@H](C)O)[C@@H]1Cc2cc3c(N=Nc4ccc(S(N)(=O)=O)cc4)c(O)cc(O)c3c(O)c2C(=O)[C@H]1O[C@@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3C[C@@](C)(O)[C@H](OC(=O)C(C)C)[C@H](C)O3)[C@H](O)[C@H](C)O2)[C@H](O)[C@H](C)O1

Aglycone:

CC(C)C(=O)O.NS(=O)(=O)c1ccc(N=Nc2c(O)cc(O)c3c(O)c4c(cc23)CCC(O)C4=O)cc1

Sugarmoiety:

CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(=O)C(O)C(C)O

Other Identifiers

• CHEMBL578762

AD00350

Formula: C4H8O2

Smiles:

CC(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.73	Num_rotatable_bonds:	1
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD11480

Formula: C20H17O7N3S

Smiles:

NS(=O)(=O)c1ccc(N=Nc2c(O)cc(O)c3c(O)c4c(cc23)CCC(O)C4=O)cc1

HBA:	10	RingCount:	4
HBD:	6	FractionCSP3:	0.15
AlogP:	2.51	Num_rotatable_bonds:	3
MolWt:	443.44	Num_heavy_atoms:	31
TPSA:	182.87	NumAromaticRings:	3