GD033093

Name:

None

Formula:

C49H70O24N3

Smiles:

C=CC(=O)NCCCCCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C(=O)[O-])C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(=O)c1ccc2ccccc2c1

Aglycone:

C=CC(=O)NCCCCCCO.CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO.NC(=O)c1ccc2ccccc2c1

Sugarmoiety:

CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3215456

AD00078

Formula: C11H9ON

Smiles:

NC(=O)c1ccc2ccccc2c1

HBA:	2	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	1.94	Num_rotatable_bonds:	1
MolWt:	171.2	Num_heavy_atoms:	13
TPSA:	43.09	NumAromaticRings:	2

AD00303

Formula: C11H18O9N

Smiles:

CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO

HBA:	10	RingCount:	1
HBD:	6	FractionCSP3:	0.82
AlogP:	-5.21	Num_rotatable_bonds:	5
MolWt:	308.26	Num_heavy_atoms:	21
TPSA:	179.61	NumAromaticRings:	0

AD12775

Formula: C9H17O2N

Smiles:

C=CC(=O)NCCCCCCO

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.67
AlogP:	0.84	Num_rotatable_bonds:	7
MolWt:	171.24	Num_heavy_atoms:	12
TPSA:	49.33	NumAromaticRings:	0