GD023270

Name:

None

Formula:

C49H64O19N2

Smiles:

CO[C@H](C(=O)[C@H](O)[C@H](C)O)[C@@H]1Cc2cc3c(N=Nc4ccccc4)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.O=C1c2c(cc3c(N=Nc4ccccc4)c(O)cc(O)c3c2O)CCC1O

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

• CHEMBL564946

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

AD15670

Formula: C20H16O5N2

Smiles:

O=C1c2c(cc3c(N=Nc4ccccc4)c(O)cc(O)c3c2O)CCC1O

HBA:	7	RingCount:	4
HBD:	4	FractionCSP3:	0.15
AlogP:	3.86	Num_rotatable_bonds:	2
MolWt:	364.36	Num_heavy_atoms:	27
TPSA:	122.71	NumAromaticRings:	3